C796-0719 Screening compound: N-(2-chloro-4-fluorophenyl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide

C796-0719 Screening compound: N-(2-chloro-4-fluorophenyl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide
C796-0719 Screening compound: N-(2-chloro-4-fluorophenyl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0719
N-(2-chloro-4-fluorophenyl)-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

C796-0719

Molecular Formula

C25H20ClFN2O2S (C25 H20 ClFN2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSc2ccc(C)cc2)nc(-c(cc2)ccc2C(Nc(ccc(F)c2)c2Cl)=O)o1

InChI

InChI=1S/C25H20ClFN2O2S/c1-15-3-10-20(11-4-15)32-14-23-16(2)31-25(29-23)18-7-5-17(6-8-18)24(30)28-22-12-9-19(27)13-21(22)26/h3-13H,14H2,1-2H3,(H,28,30)

InChI Key

SOMADWTUJJFGLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.96

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

6.627

Distribution Coefficient, logD

6.418

Water Solubility, LogSw

-6.26

Polar Surface Area

40.482

Acid Dissociation Constant (pKa)

7.61

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C796-0719 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C796-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0719?
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What is the minimum amount of C796-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0719
  • 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 C796-0719 available by request