8013-6648 Screening compound: N-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzamide

8013-6648 Screening compound: N-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzamide
8013-6648 Screening compound: N-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6648
N-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzamide

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

8013-6648

Molecular Formula

C18H13ClN2O2S2 (C18 H13 ClN2 O2 S2)

Compound Name

N-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzamide

IUPAC name

N-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(NN(C(/C(/S1)=C\c(cccc2)c2Cl)=O)C1=S)=O

InChI

InChI=1S/C18H13ClN2O2S2/c1-11-6-8-12(9-7-11)16(22)20-21-17(23)15(25-18(21)24)10-13-4-2-3-5-14(13)19/h2-10H,1H3,(H,20,22)

InChI Key

XZLFCYMYFAIGIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03764640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.163

Water Solubility, LogSw

-4.45

Polar Surface Area

42.844

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 8013-6648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6648?
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What is the minimum amount of 8013-6648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6648
  • 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 8013-6648 available by request