8017-7130 Screening compound: 3-[(4-chlorobenzenesulfonyl)methyl]-N-[(furan-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

8017-7130 Screening compound: 3-[(4-chlorobenzenesulfonyl)methyl]-N-[(furan-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
8017-7130 Screening compound: 3-[(4-chlorobenzenesulfonyl)methyl]-N-[(furan-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7130
3-[(4-chlorobenzenesulfonyl)methyl]-N-[(furan-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

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

8017-7130

Molecular Formula

C15H12ClN3O5S (C15 H12 ClN3 O5 S)

Compound Name

3-[(4-chlorobenzenesulfonyl)methyl]-N-[(furan-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[(4-chlorobenzenesulfonyl)methyl]-N-[(furan-2-yl)methyl]-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(CS(c(cc2)ccc2Cl)(=O)=O)no1)NCc1ccco1

InChI

InChI=1S/C15H12ClN3O5S/c16-10-3-5-12(6-4-10)25(21,22)9-13-18-15(24-19-13)14(20)17-8-11-2-1-7-23-11/h1-7H,8-9H2,(H,17,20)

InChI Key

KEKNHCZZFCJQNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.8

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.281

Distribution Coefficient, logD

2.281

Water Solubility, LogSw

-3.24

Polar Surface Area

94.105

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8017-7130 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-7130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7130?
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What is the minimum amount of 8017-7130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7130
  • 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 8017-7130 available by request