Y031-8917 Screening compound: 1H-1,3-benzimidazol-1-yl (4-methylphenyl) sulfone

Y031-8917 Screening compound: 1H-1,3-benzimidazol-1-yl (4-methylphenyl) sulfone
Y031-8917 Screening compound: 1H-1,3-benzimidazol-1-yl (4-methylphenyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-8917
1H-1,3-benzimidazol-1-yl (4-methylphenyl) 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

Y031-8917

Molecular Formula

C14H12N2O2S (C14 H12 N2 O2 S)

Compound Name

1H-1,3-benzimidazol-1-yl (4-methylphenyl) sulfone

IUPAC name

1-(4-methylbenzenesulfonyl)-1H-13-benzodiazole

SMILES

Cc(cc1)ccc1S(n1c(cccc2)c2nc1)(=O)=O

InChI

InChI=1S/C14H12N2O2S/c1-11-6-8-12(9-7-11)19(17,18)16-10-15-13-4-2-3-5-14(13)16/h2-10H,1H3

InChI Key

RVEFLPWSRYGYOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00182129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.945

Distribution Coefficient, logD

2.945

Water Solubility, LogSw

-3.20

Polar Surface Area

37.684

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

Y031-8917 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y031-8917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-8917?
Check Price and Availability of Y031-8917, 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 Y031-8917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-8917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-8917
  • 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 Y031-8917 available by request