Zelpolib (CAS 701932-26-5): price, suppliers and safety

What is Zelpolib?

Plain description, key identifiers and synonyms

Zelpolib is a chemical substance with the molecular formula C22H21N3O5S2 and a molar mass of 471.56 g/mol. Its CAS registry number is 701932-26-5. The IUPAC name is methyl 2-[[3-(3,4-dihydroxyphenyl)propanoylamino]carbamothioylamino]-5-phenylthiophene-3-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: methyl 2-[[3-(3,4-dihydroxyphenyl)propanoylamino]carbamothioylamino]-5-phenylthiophene-3-carboxylate
CAS number: 701932-26-5
Molecular formula: C₂₂H₂₁N₃O₅S₂
InChIKey: GEOYTUHZFJZPSB-UHFFFAOYSA-N
InChI: InChI=1S/C22H21N3O5S2/c1-30-21(29)15-12-18(14-5-3-2-4-6-14)32-20(15)23-22(31)25-24-19(28)10-8-13-7-9-16(26)17(27)11-13/h2-7,9,11-12,26-27H,8,10H2,1H3,(H,24,28)(H2,23,25,31)
SMILES (canonical and isomeric): COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NNC(=O)CCC3=CC(=C(C=C3)O)O

Synonyms

Methyl 2-(2-(3-(3,4-dihydroxyphenyl)propanoyl)hydrazine-1-carbothioamido)-5-phenylthiophene-3-carboxylate
methyl 2-[[3-(3,4-dihydroxyphenyl)propanoylamino]carbamothioylamino]-5-phenylthiophene-3-carboxylate
Zelpolib?
methyl 2-[({[3-(3,4-dihydroxyphenyl)propanoylamino]amino}thioxomethyl)amino]-5 -phenylthiophene-3-carboxylate
methyl 2-[({2-[3-(3,4-dihydroxyphenyl)propanoyl]hydrazinyl}carbonothioyl)amino]-5-phenylthiophene-3-carboxylate

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	471.56 g/molcalc.
Exact mass	471.0923 Dacalc.
LogP (octanol/water)	3.56calc.
Topological polar surface area	119.9 Å²calc.
Hydrogen bond donors	5calc.
Hydrogen bond acceptors	7calc.
Rotatable bonds	6calc.
Heavy atoms	32calc.
Rings	3calc.
Aromatic rings	3calc.
Fraction sp3 carbons	0.14calc.
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=C(CCc1ccccc1)NNC(=S)Nc1ccc(-c2ccccc2)s1

3 rings, 26 atoms.

No other chemical in our database has 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.

Zelpolib suppliers

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Zelpolib 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 Zelpolib is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024

$26.7B

+15.0% vs 2023, imports $26.3B

2019 to 2024

Top exporters

Ireland26.3%
China15.7%
Singapore10.3%

Top importers

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

The HS code shown for Zelpolib 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

Methyl 2-{[(2-acetylhydrazinyl)carbonothioyl]amino}-5-phenylthiophene-3-carboxylate chemical structure, C15H15N3O3S2, CAS 724779-80-0

Methyl 2-[3-(4-methoxyphenyl)propanoylamino]-5-phenylthiophene-3-carboxylate chemical structure, C22H21NO4S, CAS 445001-78-5

Methyl 5-phenyl-2-{[(2-phenylethyl)carbamothioyl]amino}thiophene-3-carboxylate chemical structure, C21H20N2O2S2, CAS 590352-81-1

Methyl 2-[({2-[(5-bromofuran-2-yl)carbonyl]hydrazinyl}carbonothioyl)amino]-5-phenylthiophene-3-carboxylate chemical structure, C18H14BrN3O4S2, CAS 590352-70-8

Same formula isomers

Different compounds that share this molecular formula

All isomers

2-Hydroxy-N'-[4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]benzohydrazide chemical structure, C22H21N3O5S2, CAS 307526-94-9

2-Hydroxy-N'-[4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoyl]benzohydrazide307526-94-9C₂₂H₂₁N₃O₅S₂

2-Methoxy-benzoic acid N'-{3-[5-(2-methoxy-benzylidene)-4-oxo-2-thioxo-thiazolid chemical structure, C22H21N3O5S2, CAS 300827-14-9

2-Methoxy-benzoic acid N'-{3-[5-(2-methoxy-benzylidene)-4-oxo-2-thioxo-thiazolid300827-14-9C₂₂H₂₁N₃O₅S₂

2-Methoxy-N'-{3-[(5Z)-5-(3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}benzohydrazide chemical structure, C22H21N3O5S2, CAS 299952-81-1

2-Methoxy-N'-{3-[(5Z)-5-(3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}benzohydrazide299952-81-1C₂₂H₂₁N₃O₅S₂

4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-hydroxyethyl)-N-(4-methylphenyl)benzenesulfonamide chemical structure, C22H21N3O5S2, CAS 510737-46-9

4-[(1,1-Dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-hydroxyethyl)-N-(4-methylphenyl)benzenesulfonamide510737-46-9C₂₂H₂₁N₃O₅S₂

(E)-4-((2-(4-Acetylpiperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate chemical structure, C22H21N3O5S2, CAS 375352-38-8

(E)-4-((2-(4-Acetylpiperazin-1-yl)-4-oxothiazol-5(4H)-ylidene)methyl)phenyl benzenesulfonate375352-38-8C₂₂H₂₁N₃O₅S₂

N-(3,4-Dimethoxyphenyl)-N-methyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide chemical structure, C22H21N3O5S2, CAS 1040680-17-8

N-(3,4-Dimethoxyphenyl)-N-methyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide1040680-17-8C₂₂H₂₁N₃O₅S₂

Methyl 4-(2-(2-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)thiazol-4-yl)acetamido)benzoate chemical structure, C22H21N3O5S2, CAS 941980-47-8

Methyl 4-(2-(2-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)thiazol-4-yl)acetamido)benzoate941980-47-8C₂₂H₂₁N₃O₅S₂

4-(N,N-Diallylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2-yl)benzamide chemical structure, C22H21N3O5S2, CAS 892844-04-1

4-(N,N-Diallylsulfamoyl)-N-(6,7-dihydro-[1,4]dioxino[2',3':4,5]benzo[1,2-d]thiazol-2-yl)benzamide892844-04-1C₂₂H₂₁N₃O₅S₂

Methanesulfonamide, N-(3-methoxy-4-(((3-methylsulfonyl)-9-acridinyl)amino)phenyl)- chemical structure, C22H21N3O5S2, CAS 97869-51-7

Methanesulfonamide, N-(3-methoxy-4-(((3-methylsulfonyl)-9-acridinyl)amino)phenyl)-97869-51-7C₂₂H₂₁N₃O₅S₂

$1,4-Dimethyl 2-[2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)acetamido]benzene-1,4-dicarboxylate chemical structure, C22H21N3O5S2, CAS 315711-52-5$

1,4-Dimethyl 2-[2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)acetamido]benzene-1,4-dicarboxylate315711-52-5C₂₂H₂₁N₃O₅S₂

4-(6,13,15-Trioxo-3-(3-pyridyl)-5,9-dithia-7,14-diazapentacyclo[9.5.1.0<2,10>. 0<4,8>.0<12,16>]heptadec-4(8)-en-14-yl)butanoic acid chemical structure, C22H21N3O5S2, CAS 1177960-37-0

4-(6,13,15-Trioxo-3-(3-pyridyl)-5,9-dithia-7,14-diazapentacyclo[9.5.1.0<2,10>. 0<4,8>.0<12,16>]heptadec-4(8)-en-14-yl)butanoic acid1177960-37-0C₂₂H₂₁N₃O₅S₂

$1,3-Dimethyl 5-[2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)acetamido]benzene-1,3-dicarboxylate chemical structure, C22H21N3O5S2, CAS 496025-39-9$

1,3-Dimethyl 5-[2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)acetamido]benzene-1,3-dicarboxylate496025-39-9C₂₂H₂₁N₃O₅S₂

Frequently asked questions

Quick answers about Zelpolib, based on the data on this page

What is Zelpolib?

Zelpolib is a chemical substance with the molecular formula C22H21N3O5S2 and a molar mass of 471.56 g/mol. Its CAS registry number is 701932-26-5. The IUPAC name is methyl 2-[[3-(3,4-dihydroxyphenyl)propanoylamino]carbamothioylamino]-5-phenylthiophene-3-carboxylate.

What is the CAS number of Zelpolib?

The CAS registry number of Zelpolib is 701932-26-5.

What is the molecular formula and weight of Zelpolib?

The molecular formula of Zelpolib is C22H21N3O5S2 and its molar mass is 471.56 g/mol.

What is Zelpolib used for?

Known uses and roles of Zelpolib include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Zelpolib hazardous?

No GHS hazard classification for Zelpolib 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 Zelpolib?

Zelpolib is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Zelpolib?

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

What is the price of Zelpolib?

Suppliers quote Zelpolib 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

Practical guides that help when you source, ship or handle Zelpolib

Zelpolib

Key facts

What is Zelpolib?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Zelpolib suppliers

Zelpolib price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Zelpolib?

What is the CAS number of Zelpolib?

What is the molecular formula and weight of Zelpolib?

What is Zelpolib used for?

Is Zelpolib hazardous?

What is the HS code of Zelpolib?

Where can I buy Zelpolib?

What is the price of Zelpolib?

Guides for buyers

Get quotes for Zelpolib

Key facts

What is Zelpolib?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Zelpolib suppliers

Zelpolib 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 Zelpolib?

What is the CAS number of Zelpolib?

What is the molecular formula and weight of Zelpolib?

What is Zelpolib used for?

Is Zelpolib hazardous?

What is the HS code of Zelpolib?

Where can I buy Zelpolib?

What is the price of Zelpolib?

Guides for buyers

Get quotes for Zelpolib