2109-0531 Screening compound: 4-bromo-N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

2109-0531 Screening compound: 4-bromo-N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
2109-0531 Screening compound: 4-bromo-N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2109-0531
4-bromo-N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

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

2109-0531

Molecular Formula

C18H13BrN2O3S2 (C18 H13 BrN2 O3 S2)

Compound Name

4-bromo-N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

IUPAC name

4-bromo-N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]benzamide

SMILES

COc1c(/C=C(/C(N2NC(c(cc3)ccc3Br)=O)=O)\SC2=S)cccc1

InChI

InChI=1S/C18H13BrN2O3S2/c1-24-14-5-3-2-4-12(14)10-15-17(23)21(18(25)26-15)20-16(22)11-6-8-13(19)9-7-11/h2-10H,1H3,(H,20,22)

InChI Key

BXVXBAPGHUXZKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01164695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.243

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.52

Polar Surface Area

50.474

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-12.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 2109-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2109-0531?
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What is the minimum amount of 2109-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2109-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2109-0531
  • 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 2109-0531 available by request