C599-0288 Screening compound: N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide

C599-0288 Screening compound: N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide
C599-0288 Screening compound: N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0288
N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide

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

C599-0288

Molecular Formula

C19H20N4O5S (C19 H20 N4 O5 S)

Compound Name

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

IUPAC name

N-{[3-(4-methylphenyl)-124-oxadiazol-5-yl]methyl}-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide

SMILES

CC(C)N(Cc1nc(-c2ccc(C)cc2)no1)S(c(cccc1)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C19H20N4O5S/c1-13(2)22(29(26,27)17-7-5-4-6-16(17)23(24)25)12-18-20-19(21-28-18)15-10-8-14(3)9-11-15/h4-11,13H,12H2,1-3H3

InChI Key

WPYOVYYRGWJTPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07161466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.339

Distribution Coefficient, logD

4.339

Water Solubility, LogSw

-4.39

Polar Surface Area

96.820

Acid Dissociation Constant (pKa)

25.54

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with C599-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0288?
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What is the minimum amount of C599-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0288
  • 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 C599-0288 available by request