G729-1266 Screening compound: N-cyclopropyl-3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamide

G729-1266 Screening compound: N-cyclopropyl-3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamide
G729-1266 Screening compound: N-cyclopropyl-3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G729-1266
N-cyclopropyl-3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}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

G729-1266

Molecular Formula

C15H16FN3O4S (C15 H16 FN3 O4 S)

Compound Name

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

IUPAC name

N-cyclopropyl-3-{3-[(4-fluorobenzenesulfonyl)methyl]-124-oxadiazol-5-yl}propanamide

SMILES

O=C(CCc1nc(CS(c(cc2)ccc2F)(=O)=O)no1)NC1CC1

InChI

InChI=1S/C15H16FN3O4S/c16-10-1-5-12(6-2-10)24(21,22)9-13-18-15(23-19-13)8-7-14(20)17-11-3-4-11/h1-2,5-6,11H,3-4,7-9H2,(H,17,20)

InChI Key

WOTHPSBSMFVIHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27154616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.129

Distribution Coefficient, logD

1.129

Water Solubility, LogSw

-2.36

Polar Surface Area

85.865

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G729-1266 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with G729-1266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G729-1266?
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What is the minimum amount of G729-1266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G729-1266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G729-1266
  • 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 G729-1266 available by request