1674-0027 Screening compound: 2-(2-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile

1674-0027 Screening compound: 2-(2-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile
1674-0027 Screening compound: 2-(2-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1674-0027
2-(2-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)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

1674-0027

Molecular Formula

C13H10N2O3S2 (C13 H10 N2 O3 S2)

Compound Name

2-(2-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile

IUPAC name

2-(2-methoxy-4-{[(5Z)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenoxy)acetonitrile

SMILES

COc(cc(/C=C(/C(N1)=O)\SC1=S)cc1)c1OCC#N

InChI

InChI=1S/C13H10N2O3S2/c1-17-10-6-8(2-3-9(10)18-5-4-14)7-11-12(16)15-13(19)20-11/h2-3,6-7H,5H2,1H3,(H,15,16,19)

InChI Key

GXGAXJYPJQDROS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.727

Distribution Coefficient, logD

-0.624

Water Solubility, LogSw

-2.33

Polar Surface Area

57.527

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 1674-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1674-0027?
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What is the minimum amount of 1674-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1674-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1674-0027
  • 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 1674-0027 available by request