Y205-8697 Screening compound: 1-(benzylsulfonyl)-2-methyl-1H-1,3-benzimidazole

Y205-8697 Screening compound: 1-(benzylsulfonyl)-2-methyl-1H-1,3-benzimidazole
Y205-8697 Screening compound: 1-(benzylsulfonyl)-2-methyl-1H-1,3-benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y205-8697
1-(benzylsulfonyl)-2-methyl-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

Y205-8697

Molecular Formula

C15H14N2O2S (C15 H14 N2 O2 S)

Compound Name

1-(benzylsulfonyl)-2-methyl-1H-1,3-benzimidazole

IUPAC name

2-methyl-1-phenylmethanesulfonyl-1H-13-benzodiazole

SMILES

Cc1nc(cccc2)c2n1S(Cc1ccccc1)(=O)=O

InChI

InChI=1S/C15H14N2O2S/c1-12-16-14-9-5-6-10-15(14)17(12)20(18,19)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3

InChI Key

ODCPVBYPCYJMPJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.544

Distribution Coefficient, logD

2.544

Water Solubility, LogSw

-2.59

Polar Surface Area

37.225

Acid Dissociation Constant (pKa)

19.71

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y205-8697 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y205-8697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y205-8697?
Check Price and Availability of Y205-8697, 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 Y205-8697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y205-8697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y205-8697
  • 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 Y205-8697 available by request