C796-0698 Screening compound: N-(3-fluoro-4-methylphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide

C796-0698 Screening compound: N-(3-fluoro-4-methylphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
C796-0698 Screening compound: N-(3-fluoro-4-methylphenyl)-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-0698
N-(3-fluoro-4-methylphenyl)-4-[5-methyl-4-(phenoxymethyl)-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

C796-0698

Molecular Formula

C25H21FN2O3 (C25 H21 FN2 O3)

Compound Name

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

IUPAC name

N-(3-fluoro-4-methylphenyl)-4-[5-methyl-4-(phenoxymethyl)-13-oxazol-2-yl]benzamide

SMILES

Cc1c(COc2ccccc2)nc(-c(cc2)ccc2C(Nc2cc(F)c(C)cc2)=O)o1

InChI

InChI=1S/C25H21FN2O3/c1-16-8-13-20(14-22(16)26)27-24(29)18-9-11-19(12-10-18)25-28-23(17(2)31-25)15-30-21-6-4-3-5-7-21/h3-14H,15H2,1-2H3,(H,27,29)

InChI Key

LRLRHVRGPFBRHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.545

Distribution Coefficient, logD

5.540

Water Solubility, LogSw

-5.43

Polar Surface Area

48.679

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C796-0698 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

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 C796-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-0698?
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What is the minimum amount of C796-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-0698
  • 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 C796-0698 available by request