3331-2912 Screening compound: 4-{[(5Z)-3-(3-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

3331-2912 Screening compound: 4-{[(5Z)-3-(3-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
3331-2912 Screening compound: 4-{[(5Z)-3-(3-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-2912
4-{[(5Z)-3-(3-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic 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

3331-2912

Molecular Formula

C17H11NO4S2 (C17 H11 NO4 S2)

Compound Name

4-{[(5Z)-3-(3-hydroxyphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

IUPAC name

4-{[(5Z)-3-(3-hydroxyphenyl)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}benzoic acid

SMILES

OC(c1ccc(/C=C(/C(N2c3cc(O)ccc3)=O)\SC2=S)cc1)=O

InChI

InChI=1S/C17H11NO4S2/c19-13-3-1-2-12(9-13)18-15(20)14(24-17(18)23)8-10-4-6-11(7-5-10)16(21)22/h1-9,19H,(H,21,22)

InChI Key

GYWMTGQVPWQEKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01654694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

-0.112

Water Solubility, LogSw

-3.54

Polar Surface Area

61.856

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 3331-2912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-2912?
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What is the minimum amount of 3331-2912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-2912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-2912
  • 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 3331-2912 available by request