0671-0210 Screening compound: 3-[3-(2-cyanoethyl)-2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-1-yl]propanenitrile

0671-0210 Screening compound: 3-[3-(2-cyanoethyl)-2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-1-yl]propanenitrile
0671-0210 Screening compound: 3-[3-(2-cyanoethyl)-2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-1-yl]propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0671-0210
3-[3-(2-cyanoethyl)-2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-1-yl]propanenitrile

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

0671-0210

Molecular Formula

C13H12N4S (C13 H12 N4 S)

Compound Name

3-[3-(2-cyanoethyl)-2-sulfanylidene-2,3-dihydro-1H-1,3-benzodiazol-1-yl]propanenitrile

IUPAC name

3-[3-(2-cyanoethyl)-2-sulfanylidene-23-dihydro-1H-13-benzodiazol-1-yl]propanenitrile

SMILES

N#CCCN(c(cccc1)c1N1CCC#N)C1=S

InChI

InChI=1S/C13H12N4S/c14-7-3-9-16-11-5-1-2-6-12(11)17(13(16)18)10-4-8-15/h1-2,5-6H,3-4,9-10H2

InChI Key

DQQVLZYJOWVXQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00445449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.276

Distribution Coefficient, logD

1.276

Water Solubility, LogSw

-1.52

Polar Surface Area

40.025

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

-6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 0671-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0671-0210?
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What is the minimum amount of 0671-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0671-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0671-0210
  • 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 0671-0210 available by request