C249-0004 Screening compound: (5E)-3-(prop-2-en-1-yl)-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

C249-0004 Screening compound: (5E)-3-(prop-2-en-1-yl)-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
C249-0004 Screening compound: (5E)-3-(prop-2-en-1-yl)-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C249-0004
(5E)-3-(prop-2-en-1-yl)-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

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

C249-0004

Molecular Formula

C11H9NOS3 (C11 H9 NOS3)

Compound Name

(5E)-3-(prop-2-en-1-yl)-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-(prop-2-en-1-yl)-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-13-thiazolidin-4-one

SMILES

C=CCN(C(/C(/S1)=C\c2cccs2)=O)C1=S

InChI

InChI=1S/C11H9NOS3/c1-2-5-12-10(13)9(16-11(12)14)7-8-4-3-6-15-8/h2-4,6-7H,1,5H2

InChI Key

MJQHIBZNVUIMNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00648305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.974

Distribution Coefficient, logD

2.974

Water Solubility, LogSw

-3.16

Polar Surface Area

17.711

Acid Dissociation Constant (pKa)

33.62

Base Dissociation Constant (pKb)

-1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with C249-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C249-0004?
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What is the minimum amount of C249-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C249-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C249-0004
  • 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 C249-0004 available by request