4476-3471 Screening compound: (5Z)-5-[(4-tert-butylphenyl)methylidene]-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

4476-3471 Screening compound: (5Z)-5-[(4-tert-butylphenyl)methylidene]-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
4476-3471 Screening compound: (5Z)-5-[(4-tert-butylphenyl)methylidene]-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-3471
(5Z)-5-[(4-tert-butylphenyl)methylidene]-3-[(oxolan-2-yl)methyl]-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

4476-3471

Molecular Formula

C19H23NO2S2 (C19 H23 NO2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c1ccc(/C=C(/C(N2CC3OCCC3)=O)\SC2=S)cc1

InChI

InChI=1S/C19H23NO2S2/c1-19(2,3)14-8-6-13(7-9-14)11-16-17(21)20(18(23)24-16)12-15-5-4-10-22-15/h6-9,11,15H,4-5,10,12H2,1-3H3/t15-/m1/s1

InChI Key

IWRPLWUWOJEUHT-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03461405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.646

Distribution Coefficient, logD

4.646

Water Solubility, LogSw

-4.36

Polar Surface Area

25.097

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

References: we are preparing a list of scientific research reports with 4476-3471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-3471?
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What is the minimum amount of 4476-3471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-3471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-3471
  • 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 4476-3471 available by request