Y040-4534 Screening compound: 3-(4-chlorophenyl)-2-{[(4-fluorophenyl)sulfonyl]amino}propanoic acid

Y040-4534 Screening compound: 3-(4-chlorophenyl)-2-{[(4-fluorophenyl)sulfonyl]amino}propanoic acid
Y040-4534 Screening compound: 3-(4-chlorophenyl)-2-{[(4-fluorophenyl)sulfonyl]amino}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4534
3-(4-chlorophenyl)-2-{[(4-fluorophenyl)sulfonyl]amino}propanoic acid

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y040-4534

Molecular Formula

C15H13ClFNO4S (C15 H13 ClFNO4 S)

Compound Name

3-(4-chlorophenyl)-2-{[(4-fluorophenyl)sulfonyl]amino}propanoic acid

IUPAC name

n/a

SMILES

OC(C(Cc(cc1)ccc1Cl)NS(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C15H13ClFNO4S/c16-11-3-1-10(2-4-11)9-14(15(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h1-8,14,18H,9H2,(H,19,20)/t14-/m0/s1

InChI Key

NJYNLJVCQLSYDT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02331404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.384

Distribution Coefficient, logD

-1.352

Water Solubility, LogSw

-3.04

Polar Surface Area

70.249

Acid Dissociation Constant (pKa)

3.66

Base Dissociation Constant (pKb)

-8.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

Y040-4534 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Integrin Receptors Targeted library (1715 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Structure:
  • Pool
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y040-4534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4534?
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What is the minimum amount of Y040-4534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4534
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y040-4534 available by request