2324-0249 Screening compound: (5Z)-5-{2-[(2E)-1-benzyl-3-phenyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]ethylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

2324-0249 Screening compound: (5Z)-5-{2-[(2E)-1-benzyl-3-phenyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]ethylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
2324-0249 Screening compound: (5Z)-5-{2-[(2E)-1-benzyl-3-phenyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]ethylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2324-0249
(5Z)-5-{2-[(2E)-1-benzyl-3-phenyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]ethylidene}-3-ethyl-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

2324-0249

Molecular Formula

C27H23N3OS2 (C27 H23 N3 OS2)

Compound Name

(5Z)-5-{2-[(2E)-1-benzyl-3-phenyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]ethylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-{2-[(2E)-1-benzyl-3-phenyl-23-dihydro-1H-13-benzodiazol-2-ylidene]ethylidene}-3-ethyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCN(C(/C(/S1)=C/C=C(\N(Cc2ccccc2)c2c3cccc2)/N3c2ccccc2)=O)C1=S

InChI

InChI=1S/C27H23N3OS2/c1-2-28-26(31)24(33-27(28)32)17-18-25-29(19-20-11-5-3-6-12-20)22-15-9-10-16-23(22)30(25)21-13-7-4-8-14-21/h3-18H,2,19H2,1H3

InChI Key

FWZXDTMQXAUZFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.128

Distribution Coefficient, logD

6.128

Water Solubility, LogSw

-5.50

Polar Surface Area

18.116

Acid Dissociation Constant (pKa)

28.27

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2324-0249 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 2324-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2324-0249?
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What is the minimum amount of 2324-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2324-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2324-0249
  • 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 2324-0249 available by request