8010-0588 Screening compound: 1H-1,3-benzimidazol-1-yl (2-chloro-5-nitrophenyl) sulfone

8010-0588 Screening compound: 1H-1,3-benzimidazol-1-yl (2-chloro-5-nitrophenyl) sulfone
8010-0588 Screening compound: 1H-1,3-benzimidazol-1-yl (2-chloro-5-nitrophenyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0588
1H-1,3-benzimidazol-1-yl (2-chloro-5-nitrophenyl) sulfone

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

8010-0588

Molecular Formula

C13H8ClN3O4S (C13 H8 ClN3 O4 S)

Compound Name

1H-1,3-benzimidazol-1-yl (2-chloro-5-nitrophenyl) sulfone

IUPAC name

1-(2-chloro-5-nitrobenzenesulfonyl)-1H-13-benzodiazole

SMILES

[O-][N+](c(cc1)cc(S(n2c(cccc3)c3nc2)(=O)=O)c1Cl)=O

InChI

InChI=1S/C13H8ClN3O4S/c14-10-6-5-9(17(18)19)7-13(10)22(20,21)16-8-15-11-3-1-2-4-12(11)16/h1-8H

InChI Key

ZHLXTMPMXWHJRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01027155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.74

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.818

Distribution Coefficient, logD

2.818

Water Solubility, LogSw

-3.33

Polar Surface Area

71.065

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8010-0588 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8010-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0588?
Check Price and Availability of 8010-0588, 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 8010-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0588
  • 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 8010-0588 available by request