G947-5250 Screening compound: N-(3-cyanophenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylbenzene-1-sulfonamide

G947-5250 Screening compound: N-(3-cyanophenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylbenzene-1-sulfonamide
G947-5250 Screening compound: N-(3-cyanophenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G947-5250
N-(3-cyanophenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylbenzene-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

G947-5250

Molecular Formula

C19H16N4O3S (C19 H16 N4 O3 S)

Compound Name

N-(3-cyanophenyl)-5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylbenzene-1-sulfonamide

IUPAC name

N-(3-cyanophenyl)-5-(5-cyclopropyl-124-oxadiazol-3-yl)-2-methylbenzene-1-sulfonamide

SMILES

Cc(ccc(-c1noc(C2CC2)n1)c1)c1S(Nc1cc(C#N)ccc1)(=O)=O

InChI

InChI=1S/C19H16N4O3S/c1-12-5-6-15(18-21-19(26-22-18)14-7-8-14)10-17(12)27(24,25)23-16-4-2-3-13(9-16)11-20/h2-6,9-10,14,23H,7-8H2,1H3

InChI Key

PLIBXIIQCLJHIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.762

Distribution Coefficient, logD

3.832

Water Solubility, LogSw

-4.56

Polar Surface Area

89.873

Acid Dissociation Constant (pKa)

6.52

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G947-5250 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G947-5250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G947-5250?
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What is the minimum amount of G947-5250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G947-5250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G947-5250
  • 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 G947-5250 available by request