1737-0015 Screening compound: 2-({5-[(cyanomethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)acetonitrile

1737-0015 Screening compound: 2-({5-[(cyanomethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)acetonitrile
1737-0015 Screening compound: 2-({5-[(cyanomethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1737-0015
2-({5-[(cyanomethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)acetonitrile

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

1737-0015

Molecular Formula

C7H4N2S5 (C7 H4 N2 S5)

Compound Name

2-({5-[(cyanomethyl)sulfanyl]-2-sulfanylidene-2H-1,3-dithiol-4-yl}sulfanyl)acetonitrile

IUPAC name

2-({5-[(cyanomethyl)sulfanyl]-2-sulfanylidene-2H-13-dithiol-4-yl}sulfanyl)acetonitrile

SMILES

N#CCSC(S1)=C(SCC#N)SC1=S

InChI

InChI=1S/C7H4N2S5/c8-1-3-11-5-6(12-4-2-9)14-7(10)13-5/h3-4H2

InChI Key

VPVSNJFDOVTMGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01096138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.738

Distribution Coefficient, logD

2.738

Water Solubility, LogSw

-2.74

Polar Surface Area

35.780

Acid Dissociation Constant (pKa)

28.63

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

1737-0015 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 1737-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1737-0015?
Check Price and Availability of 1737-0015, 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 1737-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1737-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1737-0015
  • 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 1737-0015 available by request