8018-0110 Screening compound: N~5~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-3-(2-thienyl)-1,2,4-oxadiazole-5-carboxamide

8018-0110 Screening compound: N~5~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-3-(2-thienyl)-1,2,4-oxadiazole-5-carboxamide
8018-0110 Screening compound: N~5~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-3-(2-thienyl)-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0110
N~5~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-3-(2-thienyl)-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

8018-0110

Molecular Formula

C16H13N5O2S (C16 H13 N5 O2 S)

Compound Name

N~5~-[2-(1H-1,3-benzimidazol-2-yl)ethyl]-3-(2-thienyl)-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-3-(thiophen-2-yl)-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(-c2cccs2)no1)NCCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C16H13N5O2S/c22-15(16-20-14(21-23-16)12-6-3-9-24-12)17-8-7-13-18-10-4-1-2-5-11(10)19-13/h1-6,9H,7-8H2,(H,17,22)(H,18,19)

InChI Key

SJXMFRYLIBILAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05667566

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

2.730

Water Solubility, LogSw

-3.11

Polar Surface Area

77.471

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8018-0110 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 8018-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0110?
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What is the minimum amount of 8018-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0110
  • 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 8018-0110 available by request