8006-4979 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-cyanophenyl)acetamide

8006-4979 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-cyanophenyl)acetamide
8006-4979 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-cyanophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4979
2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-cyanophenyl)acetamide

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

8006-4979

Molecular Formula

C16H12N4OS (C16 H12 N4 OS)

Compound Name

2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N-(4-cyanophenyl)acetamide

IUPAC name

2-(1H-13-benzodiazol-2-ylsulfanyl)-N-(4-cyanophenyl)acetamide

SMILES

N#Cc(cc1)ccc1NC(CSc1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C16H12N4OS/c17-9-11-5-7-12(8-6-11)18-15(21)10-22-16-19-13-3-1-2-4-14(13)20-16/h1-8H,10H2,(H,18,21)(H,19,20)

InChI Key

XYUODJWSPSFGCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00825410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.508

Distribution Coefficient, logD

2.507

Water Solubility, LogSw

-2.81

Polar Surface Area

58.186

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8006-4979 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8006-4979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4979?
Check Price and Availability of 8006-4979, 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 8006-4979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4979
  • 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 8006-4979 available by request