1988-1717 Screening compound: N-(3-chloro-4-fluorophenyl)-3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

1988-1717 Screening compound: N-(3-chloro-4-fluorophenyl)-3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
1988-1717 Screening compound: N-(3-chloro-4-fluorophenyl)-3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-1717
N-(3-chloro-4-fluorophenyl)-3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

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

1988-1717

Molecular Formula

C19H13Cl2FN2O2S2 (C19 H13 Cl2 FN2 O2 S2)

Compound Name

N-(3-chloro-4-fluorophenyl)-3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-3-[(5Z)-5-[(4-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanamide

SMILES

O=C(CCN(C(/C(/S1)=C/c(cc2)ccc2Cl)=O)C1=S)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C19H13Cl2FN2O2S2/c20-12-3-1-11(2-4-12)9-16-18(26)24(19(27)28-16)8-7-17(25)23-13-5-6-15(22)14(21)10-13/h1-6,9-10H,7-8H2,(H,23,25)

InChI Key

CFEUFNPPDQEJFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01164417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.176

Distribution Coefficient, logD

5.144

Water Solubility, LogSw

-5.86

Polar Surface Area

39.570

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with 1988-1717 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1988-1717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-1717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-1717
  • 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 1988-1717 available by request