3128-9295 Screening compound: 4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate

3128-9295 Screening compound: 4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate
3128-9295 Screening compound: 4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3128-9295
4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate

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

3128-9295

Molecular Formula

C17H10N2O5S2 (C17 H10 N2 O5 S2)

Compound Name

4-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate

IUPAC name

4-{[(5Z)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenyl 3-nitrobenzoate

SMILES

[O-][N+](c1cccc(C(Oc2ccc(/C=C(/C(N3)=O)\SC3=S)cc2)=O)c1)=O

InChI

InChI=1S/C17H10N2O5S2/c20-15-14(26-17(25)18-15)8-10-4-6-13(7-5-10)24-16(21)11-2-1-3-12(9-11)19(22)23/h1-9H,(H,18,20,25)

InChI Key

XCFMWXLBLMCKJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02641692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

1.241

Water Solubility, LogSw

-3.23

Polar Surface Area

78.659

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3128-9295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3128-9295?
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What is the minimum amount of 3128-9295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3128-9295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3128-9295
  • 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 3128-9295 available by request