8014-3832 Screening compound: ethyl 2-{[(E)-3-amino-2-cyano-3-oxo-1-sulfanyl-1-propenyl]sulfanyl}acetate

8014-3832 Screening compound: ethyl 2-{[(E)-3-amino-2-cyano-3-oxo-1-sulfanyl-1-propenyl]sulfanyl}acetate
8014-3832 Screening compound: ethyl 2-{[(E)-3-amino-2-cyano-3-oxo-1-sulfanyl-1-propenyl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-3832
ethyl 2-{[(E)-3-amino-2-cyano-3-oxo-1-sulfanyl-1-propenyl]sulfanyl}acetate

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

8014-3832

Molecular Formula

C8H10N2O3S2 (C8 H10 N2 O3 S2)

Compound Name

ethyl 2-{[(E)-3-amino-2-cyano-3-oxo-1-sulfanyl-1-propenyl]sulfanyl}acetate

IUPAC name

ethyl 2-{[(1E)-2-carbamoyl-2-cyano-1-sulfanyleth-1-en-1-yl]sulfanyl}acetate

SMILES

CCOC(CS/C(/S)=C(/C(N)=O)\C#N)=O

InChI

InChI=1S/C8H10N2O3S2/c1-2-13-6(11)4-15-8(14)5(3-9)7(10)12/h14H,2,4H2,1H3,(H2,10,12)

InChI Key

TZWIZDDTNAWSSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01910089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.308

Distribution Coefficient, logD

-1.889

Water Solubility, LogSw

-0.93

Polar Surface Area

71.784

Acid Dissociation Constant (pKa)

5.21

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 8014-3832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-3832?
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What is the minimum amount of 8014-3832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-3832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-3832
  • 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 8014-3832 available by request