G729-1582 Screening compound: 3-{3-[(4-chlorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide

G729-1582 Screening compound: 3-{3-[(4-chlorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide
G729-1582 Screening compound: 3-{3-[(4-chlorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G729-1582
3-{3-[(4-chlorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[4-(trifluoromethoxy)phenyl]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

G729-1582

Molecular Formula

C19H15ClF3N3O5S (C19 H15 ClF3 N3 O5 S)

Compound Name

3-{3-[(4-chlorobenzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide

IUPAC name

3-{3-[(4-chlorobenzenesulfonyl)methyl]-124-oxadiazol-5-yl}-N-[4-(trifluoromethoxy)phenyl]propanamide

SMILES

O=C(CCc1nc(CS(c(cc2)ccc2Cl)(=O)=O)no1)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C19H15ClF3N3O5S/c20-12-1-7-15(8-2-12)32(28,29)11-16-25-18(31-26-16)10-9-17(27)24-13-3-5-14(6-4-13)30-19(21,22)23/h1-8H,9-11H2,(H,24,27)

InChI Key

HZHYZAQVPZKJHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.86

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.170

Distribution Coefficient, logD

4.170

Water Solubility, LogSw

-4.68

Polar Surface Area

90.423

Acid Dissociation Constant (pKa)

12.19

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

G729-1582 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 G729-1582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G729-1582?
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What is the minimum amount of G729-1582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G729-1582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G729-1582
  • 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 G729-1582 available by request