3229-1331 Screening compound: (5E)-5-({2-[(2,4-dichlorophenyl)methoxy]-4-(diethylamino)phenyl}methylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

3229-1331 Screening compound: (5E)-5-({2-[(2,4-dichlorophenyl)methoxy]-4-(diethylamino)phenyl}methylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
3229-1331 Screening compound: (5E)-5-({2-[(2,4-dichlorophenyl)methoxy]-4-(diethylamino)phenyl}methylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-1331
(5E)-5-({2-[(2,4-dichlorophenyl)methoxy]-4-(diethylamino)phenyl}methylidene)-3-phenyl-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

3229-1331

Molecular Formula

C27H24Cl2N2O2S2 (C27 H24 Cl2 N2 O2 S2)

Compound Name

(5E)-5-({2-[(2,4-dichlorophenyl)methoxy]-4-(diethylamino)phenyl}methylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-({2-[(24-dichlorophenyl)methoxy]-4-(diethylamino)phenyl}methylidene)-3-phenyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCN(CC)c1cc(OCc(ccc(Cl)c2)c2Cl)c(/C=C(\C(N2c3ccccc3)=O)/SC2=S)cc1

InChI

InChI=1S/C27H24Cl2N2O2S2/c1-3-30(4-2)22-13-11-18(24(16-22)33-17-19-10-12-20(28)15-23(19)29)14-25-26(32)31(27(34)35-25)21-8-6-5-7-9-21/h5-16H,3-4,17H2,1-2H3

InChI Key

LBBJHFULKSFJLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.651

Distribution Coefficient, logD

7.649

Water Solubility, LogSw

-6.40

Polar Surface Area

25.881

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

3229-1331 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3229-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-1331?
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What is the minimum amount of 3229-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-1331
  • 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 3229-1331 available by request