8010-0459 Screening compound: 5-chloro-1-(2,5-dimethoxybenzenesulfonyl)-1H-1,2,3-benzotriazole

8010-0459 Screening compound: 5-chloro-1-(2,5-dimethoxybenzenesulfonyl)-1H-1,2,3-benzotriazole
8010-0459 Screening compound: 5-chloro-1-(2,5-dimethoxybenzenesulfonyl)-1H-1,2,3-benzotriazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0459
5-chloro-1-(2,5-dimethoxybenzenesulfonyl)-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

8010-0459

Molecular Formula

C14H12ClN3O4S (C14 H12 ClN3 O4 S)

Compound Name

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

IUPAC name

5-chloro-1-(25-dimethoxybenzenesulfonyl)-1H-123-benzotriazole

SMILES

COc(cc1)cc(S(n2nnc3c2ccc(Cl)c3)(=O)=O)c1OC

InChI

InChI=1S/C14H12ClN3O4S/c1-21-10-4-6-13(22-2)14(8-10)23(19,20)18-12-5-3-9(15)7-11(12)16-17-18/h3-8H,1-2H3

InChI Key

HXNGWDJTGXLNRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02043764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.697

Distribution Coefficient, logD

2.697

Water Solubility, LogSw

-3.39

Polar Surface Area

67.177

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8010-0459 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
Structure:
  • Pool
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8010-0459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0459?
Check Price and Availability of 8010-0459, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8010-0459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0459
  • 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 8010-0459 available by request