E776-0062 Screening compound: N-(3-chloro-4-methylphenyl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide

E776-0062 Screening compound: N-(3-chloro-4-methylphenyl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide
E776-0062 Screening compound: N-(3-chloro-4-methylphenyl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-0062
N-(3-chloro-4-methylphenyl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide

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

E776-0062

Molecular Formula

C26H23ClN2O2S (C26 H23 ClN2 O2 S)

Compound Name

N-(3-chloro-4-methylphenyl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide

IUPAC name

N-(3-chloro-4-methylphenyl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-13-oxazol-2-yl)benzamide

SMILES

Cc1c(CSc2ccc(C)cc2)nc(-c(cc2)ccc2C(Nc2cc(Cl)c(C)cc2)=O)o1

InChI

InChI=1S/C26H23ClN2O2S/c1-16-4-12-22(13-5-16)32-15-24-18(3)31-26(29-24)20-9-7-19(8-10-20)25(30)28-21-11-6-17(2)23(27)14-21/h4-14H,15H2,1-3H3,(H,28,30)

InChI Key

IXRJZYWWWUSHPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.386

Distribution Coefficient, logD

7.380

Water Solubility, LogSw

-6.44

Polar Surface Area

41.180

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E776-0062 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E776-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-0062?
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What is the minimum amount of E776-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-0062
  • 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 E776-0062 available by request