8009-9652 Screening compound: 7-bromo-2-[(E)-1-(3-fluorophenyl)methylidene][1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-3(2H)-one

8009-9652 Screening compound: 7-bromo-2-[(E)-1-(3-fluorophenyl)methylidene][1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-3(2H)-one
8009-9652 Screening compound: 7-bromo-2-[(E)-1-(3-fluorophenyl)methylidene][1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-9652
7-bromo-2-[(E)-1-(3-fluorophenyl)methylidene][1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-3(2H)-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

8009-9652

Molecular Formula

C15H7BrFN3OS (C15 H7 BrFN3 OS)

Compound Name

7-bromo-2-[(E)-1-(3-fluorophenyl)methylidene][1,3]thiazolo[2',3':2,3]imidazo[4,5-b]pyridin-3(2H)-one

IUPAC name

(4E)-10-bromo-4-[(3-fluorophenyl)methylidene]-5-thia-2712-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-one

SMILES

O=C(/C(/S1)=C\c2cc(F)ccc2)n2c1nc1cc(Br)cnc12

InChI

InChI=1S/C15H7BrFN3OS/c16-9-6-11-13(18-7-9)20-14(21)12(22-15(20)19-11)5-8-2-1-3-10(17)4-8/h1-7H

InChI Key

HXYDPDZUDPDQSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01925935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.21

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.767

Distribution Coefficient, logD

3.767

Water Solubility, LogSw

-3.98

Polar Surface Area

34.449

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8009-9652 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8009-9652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-9652?
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What is the minimum amount of 8009-9652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-9652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-9652
  • 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 8009-9652 available by request