C796-1271 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide

C796-1271 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide
C796-1271 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C796-1271
2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide

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

C796-1271

Molecular Formula

C16H15N3OS (C16 H15 N3 OS)

Compound Name

2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide

IUPAC name

2-(1H-13-benzodiazol-2-ylsulfanyl)-N-methyl-N-phenylacetamide

SMILES

CN(C(CSc1nc(cccc2)c2[nH]1)=O)c1ccccc1

InChI

InChI=1S/C16H15N3OS/c1-19(12-7-3-2-4-8-12)15(20)11-21-16-17-13-9-5-6-10-14(13)18-16/h2-10H,11H2,1H3,(H,17,18)

InChI Key

QVDDOPREWQMDKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03659193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.295

Distribution Coefficient, logD

2.294

Water Solubility, LogSw

-2.54

Polar Surface Area

33.093

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C796-1271 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C796-1271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C796-1271?
Check Price and Availability of C796-1271, 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 C796-1271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C796-1271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C796-1271
  • 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 C796-1271 available by request