C599-0313 Screening compound: (2E)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-phenyl-N-(propan-2-yl)prop-2-enamide

C599-0313 Screening compound: (2E)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-phenyl-N-(propan-2-yl)prop-2-enamide
C599-0313 Screening compound: (2E)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-phenyl-N-(propan-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0313
(2E)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-phenyl-N-(propan-2-yl)prop-2-enamide

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

C599-0313

Molecular Formula

C22H23N3O2 (C22 H23 N3 O2)

Compound Name

(2E)-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-phenyl-N-(propan-2-yl)prop-2-enamide

IUPAC name

(2E)-N-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}-3-phenyl-N-(propan-2-yl)prop-2-enamide

SMILES

CC(C)N(Cc1nc(-c2ccc(C)cc2)no1)C(/C=C/c1ccccc1)=O

InChI

InChI=1S/C22H23N3O2/c1-16(2)25(21(26)14-11-18-7-5-4-6-8-18)15-20-23-22(24-27-20)19-12-9-17(3)10-13-19/h4-14,16H,15H2,1-3H3

InChI Key

PZGNCRHIJJBOQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05853236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.236

Distribution Coefficient, logD

5.236

Water Solubility, LogSw

-5.10

Polar Surface Area

47.009

Acid Dissociation Constant (pKa)

26.72

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C599-0313 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C599-0313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0313?
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What is the minimum amount of C599-0313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0313
  • 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 C599-0313 available by request