C796-0718 Screening compound: N-(3-fluoro-4-methylphenyl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide

C796-0718 Screening compound: N-(3-fluoro-4-methylphenyl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide
C796-0718 Screening compound: N-(3-fluoro-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 C796-0718
N-(3-fluoro-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

C796-0718

Molecular Formula

C26H23FN2O2S (C26 H23 FN2 O2 S)

Compound Name

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

IUPAC name

N-(3-fluoro-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(F)c(C)cc2)=O)o1

InChI

InChI=1S/C26H23FN2O2S/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

DGHARAHVRAWNRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

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

6.645

Distribution Coefficient, logD

6.640

Water Solubility, LogSw

-5.54

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

C796-0718 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 C796-0718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0718?
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What is the minimum amount of C796-0718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0718
  • 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 C796-0718 available by request