1682-2133 Screening compound: 2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

1682-2133 Screening compound: 2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
1682-2133 Screening compound: 2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-2133
2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic 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

1682-2133

Molecular Formula

C13H11NO3S2 (C13 H11 NO3 S2)

Compound Name

2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

IUPAC name

2-[(5Z)-4-oxo-5-(phenylmethylidene)-2-sulfanylidene-13-thiazolidin-3-yl]propanoic acid

SMILES

CC(C(O)=O)N(C(/C(/S1)=C/c2ccccc2)=O)C1=S

InChI

InChI=1S/C13H11NO3S2/c1-8(12(16)17)14-11(15)10(19-13(14)18)7-9-5-3-2-4-6-9/h2-8H,1H3,(H,16,17)/t8-/m0/s1

InChI Key

GFGSSPUNEUQZRU-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD00572369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.954

Distribution Coefficient, logD

-0.927

Water Solubility, LogSw

-2.21

Polar Surface Area

44.463

Acid Dissociation Constant (pKa)

4.52

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

1682-2133 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 1682-2133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-2133?
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What is the minimum amount of 1682-2133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-2133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-2133
  • 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 1682-2133 available by request