C599-0492 Screening compound: 3,4-dimethyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide

C599-0492 Screening compound: 3,4-dimethyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide
C599-0492 Screening compound: 3,4-dimethyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0492
3,4-dimethyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-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

C599-0492

Molecular Formula

C22H25N3O2 (C22 H25 N3 O2)

Compound Name

3,4-dimethyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide

IUPAC name

34-dimethyl-N-{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}-N-(propan-2-yl)benzamide

SMILES

CC(C)N(Cc1nc(-c2cc(C)ccc2)no1)C(c1cc(C)c(C)cc1)=O

InChI

InChI=1S/C22H25N3O2/c1-14(2)25(22(26)19-10-9-16(4)17(5)12-19)13-20-23-21(24-27-20)18-8-6-7-15(3)11-18/h6-12,14H,13H2,1-5H3

InChI Key

FIRRKNUKKVLFKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06632028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.551

Distribution Coefficient, logD

5.551

Water Solubility, LogSw

-5.43

Polar Surface Area

47.536

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

-5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

C599-0492 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C599-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0492?
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What is the minimum amount of C599-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0492
  • 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 C599-0492 available by request