3453-1634 Screening compound: 6-[(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

3453-1634 Screening compound: 6-[(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
3453-1634 Screening compound: 6-[(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1634
6-[(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

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

3453-1634

Molecular Formula

C16H15ClN2O5S2 (C16 H15 ClN2 O5 S2)

Compound Name

6-[(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

IUPAC name

6-[(5Z)-5-[(4-chloro-3-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]hexanoic acid

SMILES

[O-][N+](c(cc(/C=C(/C(N1CCCCCC(O)=O)=O)\SC1=S)cc1)c1Cl)=O

InChI

InChI=1S/C16H15ClN2O5S2/c17-11-6-5-10(8-12(11)19(23)24)9-13-15(22)18(16(25)26-13)7-3-1-2-4-14(20)21/h5-6,8-9H,1-4,7H2,(H,20,21)

InChI Key

VUEMSCYHQRVQLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.89

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

0.399

Water Solubility, LogSw

-3.63

Polar Surface Area

78.157

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 3453-1634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1634?
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What is the minimum amount of 3453-1634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1634
  • 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 3453-1634 available by request