3215-0648 Screening compound: (5Z)-5-[(4-tert-butylphenyl)methylidene]-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

3215-0648 Screening compound: (5Z)-5-[(4-tert-butylphenyl)methylidene]-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
3215-0648 Screening compound: (5Z)-5-[(4-tert-butylphenyl)methylidene]-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3215-0648
(5Z)-5-[(4-tert-butylphenyl)methylidene]-3-(propan-2-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

3215-0648

Molecular Formula

C17H21NOS2 (C17 H21 NOS2)

Compound Name

(5Z)-5-[(4-tert-butylphenyl)methylidene]-3-(propan-2-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-[(4-tert-butylphenyl)methylidene]-3-(propan-2-yl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CC(C)N(C(/C(/S1)=C/c2ccc(C(C)(C)C)cc2)=O)C1=S

InChI

InChI=1S/C17H21NOS2/c1-11(2)18-15(19)14(21-16(18)20)10-12-6-8-13(9-7-12)17(3,4)5/h6-11H,1-5H3

InChI Key

CGEMRAKXUVZBQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01458533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.49

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

5.310

Distribution Coefficient, logD

5.310

Water Solubility, LogSw

-5.36

Polar Surface Area

16.435

Acid Dissociation Constant (pKa)

29.33

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

3215-0648 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 3215-0648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3215-0648?
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What is the minimum amount of 3215-0648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3215-0648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3215-0648
  • 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 3215-0648 available by request