PD-166326 (CAS 185039-91-2): price, suppliers and safety

What is PD-166326?

Plain description, key identifiers and synonyms

PD-166326 is a chemical substance with the molecular formula C21H16Cl2N4O2 and a molar mass of 427.29 g/mol. Its CAS registry number is 185039-91-2. The IUPAC name is 6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CAS number: 185039-91-2
Molecular formula: C₂₁H₁₆Cl₂N₄O₂
UNII: 0H77F2T4U3
MDL number: MFCD31579822
InChIKey: ZIQFYVPVJZEOFS-UHFFFAOYSA-N
InChI: InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)
SMILES (canonical and isomeric): CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC=CC(=C4)CO

Synonyms

Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-(2,6-dichlorophenyl)-2-((3-(hydroxymethyl)phenyl)amino)-8-methyl-
Pd 166326
6-(2,6-Dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
6-(2,6-dichlorophenyl)-2-((3-(hydroxymethyl)phenyl)amino)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one
6-(2,6-Dichlorophenyl)-2-[[3-(hydroxymethyl)phenyl]amino]-8-methyl-pyrido[2,3-d]pyrimidin-7(8H)-one
C21H16Cl2N4O2
6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
4H-1-Benzopyran-4-one3-(benzoyloxy)-2-phenyl-
2-(3-(hydroxymethyl)phenylamino)-6-(2,3-d]pyrimidin-7(8H)-one
6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methyl-pyrido[2,3-d]pyrimidin-7-one
6-(2,6-Dichlorophenyl)-2-(3-hydroxymethylphenylamino)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	427.29 g/molcalc.
Exact mass	426.065 Dacalc.
LogP (octanol/water)	4.54calc.
Topological polar surface area	80.04 Å²calc.
Hydrogen bond donors	2calc.
Hydrogen bond acceptors	5calc.
Rotatable bonds	4calc.
Heavy atoms	29calc.
Rings	4calc.
Aromatic rings	4calc.
Fraction sp3 carbons	0.1calc.
Formal charge	0calc.
Stereocentres	0calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

O=c1[nH]c2nc(Nc3ccccc3)ncc2cc1-c1ccccc1

4 rings, 24 atoms.

26 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

PD-166326 suppliers

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PD-166326 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code PD-166326 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024

$18.4B

+10.5% vs 2023, imports $24.8B

2019 to 2024

Top exporters

Ireland43.6%
Switzerland * partner reported26.3%
China7.9%

Top importers

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for PD-166326 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Similar structures

Nearest neighbours by Morgan fingerprint Tanimoto similarity

6-(2,6-Dichlorophenyl)-2-[(3-hydroxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one chemical structure, C20H14Cl2N4O2, CAS 185039-96-7

2-(3-Aminophenylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one chemical structure, C20H15Cl2N5O, CAS 648903-76-8

3-((6-(2,6-Dichlorophenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)benzoic acid chemical structure, C21H14Cl2N4O3, CAS 185039-99-0

6-(2,6-Dichlorophenyl)-2-[(3-methoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one chemical structure, C21H16Cl2N4O2, CAS 185039-81-0

6-(2,6-Dichlorophenyl)-2-[(4-hydroxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one chemical structure, C20H14Cl2N4O2, CAS 212391-57-6

6-(2,6-Dichlorophenyl)-8-methyl-2-((3-(methylthio)phenyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one chemical structure, C21H16Cl2N4OS, CAS 260415-63-2

2-Aminopyrido[2,3-d]pyrimidin-7(8H)-one 42 chemical structure, C19H13Cl2N5O, CAS 185039-67-2

Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-(2,6-dichlorophenyl)-2-((4-fluorophenyl)amino)-8-methyl- chemical structure, C20H13Cl2FN4O, CAS 305820-76-2

2-(4-Aminophenylamino)-6-(2,6-dichlorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one chemical structure, C20H15Cl2N5O, CAS 648903-79-1

PD-180970 chemical structure, C21H15Cl2FN4O, CAS 287204-45-9

Same formula isomers

Different compounds that share this molecular formula

All isomers

6-(2,6-Dichlorophenyl)-2-[(2-methoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one chemical structure, C21H16Cl2N4O2, CAS 185039-80-9

6-(2,6-Dichlorophenyl)-2-[(2-methoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one185039-80-9C₂₁H₁₆Cl₂N₄O₂

6-(2,6-Dichlorophenyl)-2-[(3-methoxyphenyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one185039-81-0C₂₁H₁₆Cl₂N₄O₂

3-Chloro-N-[2-(4-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide chemical structure, C21H16Cl2N4O2, CAS 346651-27-2

3-Chloro-N-[2-(4-chlorophenyl)-2H-1,2,3-benzotriazol-5-yl]-4-ethoxybenzamide346651-27-2C₂₁H₁₆Cl₂N₄O₂

3,4-Dichloro-N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]benzamide chemical structure, C21H16Cl2N4O2, CAS 332152-27-9

3,4-Dichloro-N-[2-(4-ethoxyphenyl)-2H-benzotriazol-5-yl]benzamide332152-27-9C₂₁H₁₆Cl₂N₄O₂

(Z)-2,4-Dichloro-N-(1-(1-cyano-2-oxo-2-(propylamino)ethylidene)-1H-isoindol-3-yl)benzamide chemical structure, C21H16Cl2N4O2, CAS 902023-64-7

(Z)-2,4-Dichloro-N-(1-(1-cyano-2-oxo-2-(propylamino)ethylidene)-1H-isoindol-3-yl)benzamide902023-64-7C₂₁H₁₆Cl₂N₄O₂

5-(4-(4-Chlorobenzoyl)piperazin-1-yl)-2-(3-chlorophenyl)oxazole-4-carbonitrile chemical structure, C21H16Cl2N4O2, CAS 903586-72-1

5-(4-(4-Chlorobenzoyl)piperazin-1-yl)-2-(3-chlorophenyl)oxazole-4-carbonitrile903586-72-1C₂₁H₁₆Cl₂N₄O₂

3,5-Dichloro-4-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide chemical structure, C21H16Cl2N4O2, CAS 347333-56-6

3,5-Dichloro-4-methoxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide347333-56-6C₂₁H₁₆Cl₂N₄O₂

2,5-Dichloro-N-[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]benzamide chemical structure, C21H16Cl2N4O2, CAS 6175-32-2

2,5-Dichloro-N-[2-(4-methoxyphenyl)-6-methyl-2H-benzotriazol-5-yl]benzamide6175-32-2C₂₁H₁₆Cl₂N₄O₂

1-(5-(Benzyloxy)-2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,3,4-tetraazole chemical structure, C21H16Cl2N4O2, CAS 338961-51-6

1-(5-(Benzyloxy)-2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1H-1,2,3,4-tetraazole338961-51-6C₂₁H₁₆Cl₂N₄O₂

3-Chloro-N-(6-chloro-2-phenylbenzotriazol-5-yl)-4-ethoxybenzamide chemical structure, C21H16Cl2N4O2, CAS 642430-37-3

3-Chloro-N-(6-chloro-2-phenylbenzotriazol-5-yl)-4-ethoxybenzamide642430-37-3C₂₁H₁₆Cl₂N₄O₂

5-(4-(3-Chlorobenzoyl)piperazin-1-yl)-2-(4-chlorophenyl)oxazole-4-carbonitrile chemical structure, C21H16Cl2N4O2, CAS 903191-78-6

5-(4-(3-Chlorobenzoyl)piperazin-1-yl)-2-(4-chlorophenyl)oxazole-4-carbonitrile903191-78-6C₂₁H₁₆Cl₂N₄O₂

5-(4-(4-Chlorobenzoyl)piperazin-1-yl)-2-(4-chlorophenyl)oxazole-4-carbonitrile chemical structure, C21H16Cl2N4O2, CAS 903863-96-7

5-(4-(4-Chlorobenzoyl)piperazin-1-yl)-2-(4-chlorophenyl)oxazole-4-carbonitrile903863-96-7C₂₁H₁₆Cl₂N₄O₂

Frequently asked questions

Quick answers about PD-166326, based on the data on this page

What is PD-166326?

PD-166326 is a chemical substance with the molecular formula C21H16Cl2N4O2 and a molar mass of 427.29 g/mol. Its CAS registry number is 185039-91-2. The IUPAC name is 6-(2,6-dichlorophenyl)-2-[3-(hydroxymethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

What is the CAS number of PD-166326?

The CAS registry number of PD-166326 is 185039-91-2.

What is the molecular formula and weight of PD-166326?

The molecular formula of PD-166326 is C21H16Cl2N4O2 and its molar mass is 427.29 g/mol.

What is PD-166326 used for?

Known uses and roles of PD-166326 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is PD-166326 hazardous?

No GHS hazard classification for PD-166326 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of PD-166326?

PD-166326 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy PD-166326?

Post a free request on CompoundList and suppliers of PD-166326 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of PD-166326?

Suppliers quote PD-166326 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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PD-166326

Key facts

What is PD-166326?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

PD-166326 suppliers

PD-166326 price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is PD-166326?

What is the CAS number of PD-166326?

What is the molecular formula and weight of PD-166326?

What is PD-166326 used for?

Is PD-166326 hazardous?

What is the HS code of PD-166326?

Where can I buy PD-166326?

What is the price of PD-166326?

Guides for buyers

Get quotes for PD-166326

Key facts

What is PD-166326?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

PD-166326 suppliers

PD-166326 price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Similar structures

Same formula isomers

Frequently asked questions

What is PD-166326?

What is the CAS number of PD-166326?

What is the molecular formula and weight of PD-166326?

What is PD-166326 used for?

Is PD-166326 hazardous?

What is the HS code of PD-166326?

Where can I buy PD-166326?

What is the price of PD-166326?

Guides for buyers

Get quotes for PD-166326