8017-7132 Screening compound: 3-[(4-chlorobenzenesulfonyl)methyl]-N-[3-(1H-imidazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide

8017-7132 Screening compound: 3-[(4-chlorobenzenesulfonyl)methyl]-N-[3-(1H-imidazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
8017-7132 Screening compound: 3-[(4-chlorobenzenesulfonyl)methyl]-N-[3-(1H-imidazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7132
3-[(4-chlorobenzenesulfonyl)methyl]-N-[3-(1H-imidazol-1-yl)propyl]-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

8017-7132

Molecular Formula

C16H16ClN5O4S (C16 H16 ClN5 O4 S)

Compound Name

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

IUPAC name

3-[(4-chlorobenzenesulfonyl)methyl]-N-[3-(1H-imidazol-1-yl)propyl]-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(CS(c(cc2)ccc2Cl)(=O)=O)no1)NCCCn1cncc1

InChI

InChI=1S/C16H16ClN5O4S/c17-12-2-4-13(5-3-12)27(24,25)10-14-20-16(26-21-14)15(23)19-6-1-8-22-9-7-18-11-22/h2-5,7,9,11H,1,6,8,10H2,(H,19,23)

InChI Key

JVOZLGNNXIQZAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.85

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.778

Distribution Coefficient, logD

0.536

Water Solubility, LogSw

-2.66

Polar Surface Area

98.998

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8017-7132 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-7132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7132?
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What is the minimum amount of 8017-7132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7132
  • 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 8017-7132 available by request