3453-1594 Screening compound: methyl 2-{5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate

3453-1594 Screening compound: methyl 2-{5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate
3453-1594 Screening compound: methyl 2-{5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1594
methyl 2-{5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate

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

3453-1594

Molecular Formula

C13H10BrNO3S2 (C13 H10 BrNO3 S2)

Compound Name

methyl 2-{5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetate

IUPAC name

methyl 2-{5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl}acetate

SMILES

COC(CN(C(/C(/S1)=C\c(cc2)ccc2Br)=O)C1=S)=O

InChI

InChI=1S/C13H10BrNO3S2/c1-18-11(16)7-15-12(17)10(20-13(15)19)6-8-2-4-9(14)5-3-8/h2-6H,7H2,1H3

InChI Key

UTRWIKJBMSQPCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02165700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-3.22

Polar Surface Area

37.293

Acid Dissociation Constant (pKa)

24.67

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 3453-1594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1594?
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What is the minimum amount of 3453-1594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1594
  • 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 3453-1594 available by request