4296-0465 Screening compound: benzyl 2-{[4-(4-chlorophenyl)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]pyridin-2-yl]sulfanyl}acetate

4296-0465 Screening compound: benzyl 2-{[4-(4-chlorophenyl)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]pyridin-2-yl]sulfanyl}acetate
4296-0465 Screening compound: benzyl 2-{[4-(4-chlorophenyl)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]pyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0465
benzyl 2-{[4-(4-chlorophenyl)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]pyridin-2-yl]sulfanyl}acetate

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

4296-0465

Molecular Formula

C30H24ClN3O3S (C30 H24 ClN3 O3 S)

Compound Name

benzyl 2-{[4-(4-chlorophenyl)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]pyridin-2-yl]sulfanyl}acetate

IUPAC name

benzyl 2-{[4-(4-chlorophenyl)-3-cyano-6-methyl-5-[(2-methylphenyl)carbamoyl]pyridin-2-yl]sulfanyl}acetate

SMILES

Cc(cccc1)c1NC(c(c(-c(cc1)ccc1Cl)c1C#N)c(C)nc1SCC(OCc1ccccc1)=O)=O

InChI

InChI=1S/C30H24ClN3O3S/c1-19-8-6-7-11-25(19)34-29(36)27-20(2)33-30(24(16-32)28(27)22-12-14-23(31)15-13-22)38-18-26(35)37-17-21-9-4-3-5-10-21/h3-15H,17-18H2,1-2H3,(H,34,36)

InChI Key

GHJAWFZETNKUOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02999275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.06

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.971

Distribution Coefficient, logD

6.970

Water Solubility, LogSw

-6.38

Polar Surface Area

69.003

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4296-0465 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4296-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0465?
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What is the minimum amount of 4296-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0465
  • 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 4296-0465 available by request