8010-0592 Screening compound: 1-(5-chloro-2-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole

8010-0592 Screening compound: 1-(5-chloro-2-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole
8010-0592 Screening compound: 1-(5-chloro-2-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0592
1-(5-chloro-2-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole

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

8010-0592

Molecular Formula

C13H10ClN3O3S (C13 H10 ClN3 O3 S)

Compound Name

1-(5-chloro-2-methoxybenzenesulfonyl)-1H-1,2,3-benzotriazole

IUPAC name

1-(5-chloro-2-methoxybenzenesulfonyl)-1H-123-benzotriazole

SMILES

COc(ccc(Cl)c1)c1S(n1nnc2c1cccc2)(=O)=O

InChI

InChI=1S/C13H10ClN3O3S/c1-20-12-7-6-9(14)8-13(12)21(18,19)17-11-5-3-2-4-10(11)15-16-17/h2-8H,1H3

InChI Key

CWUGWZULWPZDFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01870914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.76

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-3.09

Polar Surface Area

59.633

Acid Dissociation Constant (pKa)

32.90

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8010-0592 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8010-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0592?
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What is the minimum amount of 8010-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0592
  • 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 8010-0592 available by request