G947-4405 Screening compound: 1-(2,3-dimethylphenyl)-4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonyl]piperazine

G947-4405 Screening compound: 1-(2,3-dimethylphenyl)-4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonyl]piperazine
G947-4405 Screening compound: 1-(2,3-dimethylphenyl)-4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G947-4405
1-(2,3-dimethylphenyl)-4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonyl]piperazine

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

G947-4405

Molecular Formula

C23H28N4O3S (C23 H28 N4 O3 S)

Compound Name

1-(2,3-dimethylphenyl)-4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylbenzenesulfonyl]piperazine

IUPAC name

1-(23-dimethylphenyl)-4-[5-(5-ethyl-124-oxadiazol-3-yl)-2-methylbenzenesulfonyl]piperazine

SMILES

CCc1nc(-c2cc(S(N(CC3)CCN3c3c(C)c(C)ccc3)(=O)=O)c(C)cc2)no1

InChI

InChI=1S/C23H28N4O3S/c1-5-22-24-23(25-30-22)19-10-9-17(3)21(15-19)31(28,29)27-13-11-26(12-14-27)20-8-6-7-16(2)18(20)4/h6-10,15H,5,11-14H2,1-4H3

InChI Key

ZOGMLPDATPJOCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.634

Distribution Coefficient, logD

5.634

Water Solubility, LogSw

-5.50

Polar Surface Area

66.252

Acid Dissociation Constant (pKa)

26.27

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

G947-4405 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 G947-4405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G947-4405?
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What is the minimum amount of G947-4405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G947-4405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G947-4405
  • 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 G947-4405 available by request