8009-8491 Screening compound: (2Z)-6-acetyl-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxyphenyl)-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

8009-8491 Screening compound: (2Z)-6-acetyl-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxyphenyl)-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
8009-8491 Screening compound: (2Z)-6-acetyl-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxyphenyl)-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8491
(2Z)-6-acetyl-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxyphenyl)-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-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

8009-8491

Molecular Formula

C24H22N2O5S (C24 H22 N2 O5 S)

Compound Name

(2Z)-6-acetyl-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxyphenyl)-7-methyl-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one

IUPAC name

(2Z)-6-acetyl-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-(2-methoxyphenyl)-7-methyl-2H3H5H-[13]thiazolo[32-a]pyrimidin-3-one

SMILES

CC(C(C(c(cccc1)c1OC)N1C2=O)=C(C)N=C1S/C2=C\c(cc1)cc(OC)c1O)=O

InChI

InChI=1S/C24H22N2O5S/c1-13-21(14(2)27)22(16-7-5-6-8-18(16)30-3)26-23(29)20(32-24(26)25-13)12-15-9-10-17(28)19(11-15)31-4/h5-12,22,28H,1-4H3/t22-/m1/s1

InChI Key

JGLWSPPYRTUEQJ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD02109539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.184

Distribution Coefficient, logD

3.179

Water Solubility, LogSw

-3.20

Polar Surface Area

70.629

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.83

8009-8491 in Drug Discovery

Included in Screening Libraries

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

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 8009-8491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8491?
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What is the minimum amount of 8009-8491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8491
  • 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 8009-8491 available by request