G729-0189 Screening compound: 3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(3-chlorophenyl)methyl]propanamide

G729-0189 Screening compound: 3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(3-chlorophenyl)methyl]propanamide
G729-0189 Screening compound: 3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(3-chlorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G729-0189
3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(3-chlorophenyl)methyl]propanamide

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

G729-0189

Molecular Formula

C19H18ClN3O4S (C19 H18 ClN3 O4 S)

Compound Name

3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[(3-chlorophenyl)methyl]propanamide

IUPAC name

3-{3-[(benzenesulfonyl)methyl]-124-oxadiazol-5-yl}-N-[(3-chlorophenyl)methyl]propanamide

SMILES

O=C(CCc1nc(CS(c2ccccc2)(=O)=O)no1)NCc1cccc(Cl)c1

InChI

InChI=1S/C19H18ClN3O4S/c20-15-6-4-5-14(11-15)12-21-18(24)9-10-19-22-17(23-27-19)13-28(25,26)16-7-2-1-3-8-16/h1-8,11H,9-10,12-13H2,(H,21,24)

InChI Key

RUBIHZNMDXNPDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.89

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.596

Distribution Coefficient, logD

2.596

Water Solubility, LogSw

-3.45

Polar Surface Area

85.808

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

-2.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G729-0189 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 G729-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G729-0189?
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What is the minimum amount of G729-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G729-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G729-0189
  • 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 G729-0189 available by request