1988-1691 Screening compound: (5Z)-3-(2-methylphenyl)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

1988-1691 Screening compound: (5Z)-3-(2-methylphenyl)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
1988-1691 Screening compound: (5Z)-3-(2-methylphenyl)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-1691
(5Z)-3-(2-methylphenyl)-5-[(2-nitrophenyl)methylidene]-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

1988-1691

Molecular Formula

C17H12N2O3S2 (C17 H12 N2 O3 S2)

Compound Name

(5Z)-3-(2-methylphenyl)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-3-(2-methylphenyl)-5-[(2-nitrophenyl)methylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Cc(cccc1)c1N(C(/C(/S1)=C/c(cccc2)c2[N+]([O-])=O)=O)C1=S

InChI

InChI=1S/C17H12N2O3S2/c1-11-6-2-4-8-13(11)18-16(20)15(24-17(18)23)10-12-7-3-5-9-14(12)19(21)22/h2-10H,1H3

InChI Key

ZOFZRMUXDYVFSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01164394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.228

Distribution Coefficient, logD

4.228

Water Solubility, LogSw

-4.43

Polar Surface Area

48.611

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 1988-1691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-1691?
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What is the minimum amount of 1988-1691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-1691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-1691
  • 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 1988-1691 available by request