3229-0241 Screening compound: (5E)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

3229-0241 Screening compound: (5E)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
3229-0241 Screening compound: (5E)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-0241
(5E)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-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

3229-0241

Molecular Formula

C17H11ClN2O4S2 (C17 H11 ClN2 O4 S2)

Compound Name

(5E)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

C=CCN(C(/C(/S1)=C\c2ccc(-c(ccc([N+]([O-])=O)c3)c3Cl)o2)=O)C1=S

InChI

InChI=1S/C17H11ClN2O4S2/c1-2-7-19-16(21)15(26-17(19)25)9-11-4-6-14(24-11)12-5-3-10(20(22)23)8-13(12)18/h2-6,8-9H,1,7H2

InChI Key

PURNKNPSISNLQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01103859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.87

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.988

Distribution Coefficient, logD

4.988

Water Solubility, LogSw

-5.22

Polar Surface Area

57.644

Acid Dissociation Constant (pKa)

33.62

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 3229-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-0241?
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What is the minimum amount of 3229-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-0241
  • 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 3229-0241 available by request