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Heterocyclic building blocks

S27Fjd4ejd

Also known as UCB-35440 (L-tartrate), 5-(4-(Carbamoyl(hydroxy)amino)but-1-ynyl)-2-(2-(4-((R)-(4-chlorophenyl)-phenyl-methyl)piperazin-1-yl)ethoxy)benzamide (2R,3R)-2,3-dihydroxybutanedioic acid

CAS 299461-19-1Formula C35H40ClN5O10Molar mass 726.18 g/mol
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S27Fjd4ejd chemical structure, C35H40ClN5O10, CAS 299461-19-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
299461-19-1
Formula
C35H40ClN5O10
Molar mass
726.18 g/mol
HS code
293359
Category
Heterocyclic building blocks

What is S27Fjd4ejd?

Plain description, key identifiers and synonyms

S27Fjd4ejd is a chemical substance with the molecular formula C35H40ClN5O10 and a molar mass of 726.18 g/mol. Its CAS registry number is 299461-19-1. The IUPAC name is 5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]benzamide, (2R,3R)-2,3-dihydroxybutanedioic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]benzamide, (2R,3R)-2,3-dihydroxybutanedioic acid
CAS number
299461-19-1
Molecular formula
C35H40ClN5O10
UNII
S27FJD4EJD
InChIKey
YQXRKDBKRSBFLL-XLJOHFJVSA-N
InChI
InChI=1S/C31H34ClN5O4.C4H6O6/c32-26-12-10-25(11-13-26)29(24-7-2-1-3-8-24)36-18-16-35(17-19-36)20-21-41-28-14-9-23(22-27(28)30(33)38)6-4-5-15-37(40)31(34)39;5-1(3(7)8)2(6)4(9)10/h1-3,7-14,22,29,40H,5,15-21H2,(H2,33,38)(H2,34,39);1-2,5-6H,(H,7,8)(H,9,10)/t29-;1-,2-/m11/s1
Canonical SMILES
NC(=O)c1cc(C#CCCN(O)C(N)=O)ccc1OCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1.O=C(O)C(O)C(O)C(=O)O
Isomeric SMILES
C1CN(CCN1CCOC2=C(C=C(C=C2)C#CCCN(C(=O)N)O)C(=O)N)[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Synonyms

  • UCB-35440 (L-tartrate)
  • 5-(4-(Carbamoyl(hydroxy)amino)but-1-ynyl)-2-(2-(4-((R)-(4-chlorophenyl)-phenyl-methyl)piperazin-1-yl)ethoxy)benzamide (2R,3R)-2,3-dihydroxybutanedioic acid

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
726.18 g/molcalc.
Exact mass
725.2464 Dacalc.
LogP (octanol/water)
1.61calc.
Topological polar surface area
240.4 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
13calc.
Heavy atoms
51calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.31calc.
Formal charge
0calc.
Stereocentres
3calc.
Components
2calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1

c1ccc(OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1

4 rings, 28 atoms.

4 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.

S27Fjd4ejd suppliers

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S27Fjd4ejd price

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Uses and applications

What the substance is used for, by industry and function

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 S27Fjd4ejd 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
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

The HS code shown for S27Fjd4ejd is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about S27Fjd4ejd, based on the data on this page

What is S27Fjd4ejd?

S27Fjd4ejd is a chemical substance with the molecular formula C35H40ClN5O10 and a molar mass of 726.18 g/mol. Its CAS registry number is 299461-19-1.

What is the CAS number of S27Fjd4ejd?

The CAS registry number of S27Fjd4ejd is 299461-19-1.

What is the molecular formula and weight of S27Fjd4ejd?

The molecular formula of S27Fjd4ejd is C35H40ClN5O10 and its molar mass is 726.18 g/mol.

What is S27Fjd4ejd used for?

Known uses and roles of S27Fjd4ejd include building blocks in research and laboratory.

Is S27Fjd4ejd hazardous?

No GHS hazard classification for S27Fjd4ejd 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 S27Fjd4ejd?

S27Fjd4ejd 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 S27Fjd4ejd?

Post a free request on CompoundList and suppliers of S27Fjd4ejd will send you quotes. Your contact details stay private until you accept a quote.

What is the price of S27Fjd4ejd?

Suppliers quote S27Fjd4ejd 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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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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