8009-3109 Screening compound: 2-[(Z)-1-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-7,8-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

8009-3109 Screening compound: 2-[(Z)-1-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-7,8-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
8009-3109 Screening compound: 2-[(Z)-1-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-7,8-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3109
2-[(Z)-1-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-7,8-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-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

8009-3109

Molecular Formula

C20H18N2O4S (C20 H18 N2 O4 S)

Compound Name

2-[(Z)-1-(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-7,8-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

IUPAC name

(4Z)-4-[(4-hydroxy-35-dimethoxyphenyl)methylidene]-910-dimethyl-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-one

SMILES

Cc(cc1)c(C)c2c1n(C(/C(/S1)=C/c(cc3OC)cc(OC)c3O)=O)c1n2

InChI

InChI=1S/C20H18N2O4S/c1-10-5-6-13-17(11(10)2)21-20-22(13)19(24)16(27-20)9-12-7-14(25-3)18(23)15(8-12)26-4/h5-9,23H,1-4H3

InChI Key

WEMXAFLQUDLHTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01571439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.497

Water Solubility, LogSw

-3.61

Polar Surface Area

55.963

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8009-3109 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 8009-3109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3109?
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What is the minimum amount of 8009-3109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3109
  • 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 8009-3109 available by request