3215-1352 Screening compound: (5E)-5-[(4-tert-butylphenyl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one

3215-1352 Screening compound: (5E)-5-[(4-tert-butylphenyl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one
3215-1352 Screening compound: (5E)-5-[(4-tert-butylphenyl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3215-1352
(5E)-5-[(4-tert-butylphenyl)methylidene]-3-cyclohexyl-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

3215-1352

Molecular Formula

C20H25NOS2 (C20 H25 NOS2)

Compound Name

(5E)-5-[(4-tert-butylphenyl)methylidene]-3-cyclohexyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-[(4-tert-butylphenyl)methylidene]-3-cyclohexyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CC(C)(C)c1ccc(/C=C(\C(N2C3CCCCC3)=O)/SC2=S)cc1

InChI

InChI=1S/C20H25NOS2/c1-20(2,3)15-11-9-14(10-12-15)13-17-18(22)21(19(23)24-17)16-7-5-4-6-8-16/h9-13,16H,4-8H2,1-3H3

InChI Key

ZMNJVSWBHZPZGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01458988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.56

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

6.254

Distribution Coefficient, logD

6.254

Water Solubility, LogSw

-5.39

Polar Surface Area

15.664

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3215-1352 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 3215-1352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3215-1352?
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What is the minimum amount of 3215-1352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3215-1352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3215-1352
  • 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 3215-1352 available by request