3331-2406 Screening compound: 2-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

3331-2406 Screening compound: 2-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
3331-2406 Screening compound: 2-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-2406
2-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-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

3331-2406

Molecular Formula

C13H10BrNO3S2 (C13 H10 BrNO3 S2)

Compound Name

2-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

IUPAC name

2-[(5E)-5-[(3-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]propanoic acid

SMILES

CC(C(O)=O)N(C(/C(/S1)=C\c2cccc(Br)c2)=O)C1=S

InChI

InChI=1S/C13H10BrNO3S2/c1-7(12(17)18)15-11(16)10(20-13(15)19)6-8-3-2-4-9(14)5-8/h2-7H,1H3,(H,17,18)/t7-/m0/s1

InChI Key

RHSYBTCGCHMKMY-ZETCQYMHSA-N

MDL Number (MFCD)

MFCD04407454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.26

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

2.732

Distribution Coefficient, logD

-0.149

Water Solubility, LogSw

-2.98

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

3331-2406 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 3331-2406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-2406?
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What is the minimum amount of 3331-2406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-2406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-2406
  • 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 3331-2406 available by request