4491-1953 Screening compound: N-tert-butyl-4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide

4491-1953 Screening compound: N-tert-butyl-4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
4491-1953 Screening compound: N-tert-butyl-4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1953
N-tert-butyl-4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide

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

4491-1953

Molecular Formula

C18H21FN2O2S2 (C18 H21 FN2 O2 S2)

Compound Name

N-tert-butyl-4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide

IUPAC name

N-tert-butyl-4-[(5Z)-5-[(4-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]butanamide

SMILES

CC(C)(C)NC(CCCN(C(/C(/S1)=C/c(cc2)ccc2F)=O)C1=S)=O

InChI

InChI=1S/C18H21FN2O2S2/c1-18(2,3)20-15(22)5-4-10-21-16(23)14(25-17(21)24)11-12-6-8-13(19)9-7-12/h6-9,11H,4-5,10H2,1-3H3,(H,20,22)

InChI Key

OLVAAQFQOLHCEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02655248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.038

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-3.38

Polar Surface Area

39.988

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 4491-1953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1953?
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What is the minimum amount of 4491-1953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1953
  • 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 4491-1953 available by request