G729-1239 Screening compound: N-(4-bromo-2-fluorophenyl)-3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamide

G729-1239 Screening compound: N-(4-bromo-2-fluorophenyl)-3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamide
G729-1239 Screening compound: N-(4-bromo-2-fluorophenyl)-3-{3-[(4-fluorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G729-1239
N-(4-bromo-2-fluorophenyl)-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

G729-1239

Molecular Formula

C18H14BrF2N3O4S (C18 H14 BrF2 N3 O4 S)

Compound Name

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

IUPAC name

N-(4-bromo-2-fluorophenyl)-3-{3-[(4-fluorobenzenesulfonyl)methyl]-124-oxadiazol-5-yl}propanamide

SMILES

O=C(CCc1nc(CS(c(cc2)ccc2F)(=O)=O)no1)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C18H14BrF2N3O4S/c19-11-1-6-15(14(21)9-11)22-17(25)7-8-18-23-16(24-28-18)10-29(26,27)13-4-2-12(20)3-5-13/h1-6,9H,7-8,10H2,(H,22,25)

InChI Key

RTAGXRWPIPOATQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.29

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

3.093

Distribution Coefficient, logD

3.078

Water Solubility, LogSw

-3.50

Polar Surface Area

83.788

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G729-1239 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G729-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G729-1239?
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What is the minimum amount of G729-1239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G729-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G729-1239
  • 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 G729-1239 available by request