G729-0039 Screening compound: 3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one

G729-0039 Screening compound: 3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
G729-0039 Screening compound: 3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G729-0039
3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one

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

G729-0039

Molecular Formula

C22H23ClN4O4S (C22 H23 ClN4 O4 S)

Compound Name

3-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazol-5-yl}-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one

IUPAC name

3-{3-[(benzenesulfonyl)methyl]-124-oxadiazol-5-yl}-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one

SMILES

O=C(CCc1nc(CS(c2ccccc2)(=O)=O)no1)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C22H23ClN4O4S/c23-17-5-4-6-18(15-17)26-11-13-27(14-12-26)22(28)10-9-21-24-20(25-31-21)16-32(29,30)19-7-2-1-3-8-19/h1-8,15H,9-14,16H2

InChI Key

DEPUNHIGQIGKLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.711

Distribution Coefficient, logD

2.711

Water Solubility, LogSw

-3.39

Polar Surface Area

80.989

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with G729-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G729-0039?
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What is the minimum amount of G729-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G729-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G729-0039
  • 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 G729-0039 available by request