8010-0110 Screening compound: (5E)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one

8010-0110 Screening compound: (5E)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
8010-0110 Screening compound: (5E)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0110
(5E)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one

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

8010-0110

Molecular Formula

C11H8Br2N2O2S (C11 H8 Br2 N2 O2 S)

Compound Name

(5E)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-[(35-dibromo-4-methoxyphenyl)methylidene]-2-imino-13-thiazolidin-4-one

SMILES

COc(c(Br)cc(/C=C(\C(N1)=O)/SC1=N)c1)c1Br

InChI

InChI=1S/C11H8Br2N2O2S/c1-17-9-6(12)2-5(3-7(9)13)4-8-10(16)15-11(14)18-8/h2-4H,1H3,(H2,14,15,16)

InChI Key

LOJCBIVTRGHXTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.07

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

2.670

Water Solubility, LogSw

-3.11

Polar Surface Area

50.231

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

8010-0110 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8010-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0110?
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What is the minimum amount of 8010-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0110
  • 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 8010-0110 available by request