C599-0332 Screening compound: 4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitro-N-(propan-2-yl)benzamide

C599-0332 Screening compound: 4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitro-N-(propan-2-yl)benzamide
C599-0332 Screening compound: 4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitro-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0332
4-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitro-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

C599-0332

Molecular Formula

C21H22N4O4 (C21 H22 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-13(2)24(21(26)17-9-8-15(4)18(11-17)25(27)28)12-19-22-20(23-29-19)16-7-5-6-14(3)10-16/h5-11,13H,12H2,1-4H3

InChI Key

VAIIAWLVQVAMIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05853260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.913

Distribution Coefficient, logD

4.913

Water Solubility, LogSw

-4.74

Polar Surface Area

80.617

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

-6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C599-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0332?
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What is the minimum amount of C599-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0332
  • 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 C599-0332 available by request