8020-5010 Screening compound: 2-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1H-1,3-benzimidazole

8020-5010 Screening compound: 2-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1H-1,3-benzimidazole
8020-5010 Screening compound: 2-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1H-1,3-benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5010
2-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1H-1,3-benzimidazole

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

8020-5010

Molecular Formula

C11H11N5 (C11 H11 N5)

Compound Name

2-[2-(1H-1,2,4-triazol-1-yl)ethyl]-1H-1,3-benzimidazole

IUPAC name

2-[2-(1H-124-triazol-1-yl)ethyl]-1H-13-benzodiazole

SMILES

C(Cn1ncnc1)c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C11H11N5/c1-2-4-10-9(3-1)14-11(15-10)5-6-16-8-12-7-13-16/h1-4,7-8H,5-6H2,(H,14,15)

InChI Key

UNBNUHCIYLMXQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06634248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

213.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.101

Distribution Coefficient, logD

1.019

Water Solubility, LogSw

-1.04

Polar Surface Area

45.475

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

6.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8020-5010 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8020-5010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5010?
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What is the minimum amount of 8020-5010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5010
  • 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 8020-5010 available by request