8009-4003 Screening compound: 2-[(E)-1-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6,7-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

8009-4003 Screening compound: 2-[(E)-1-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6,7-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one
8009-4003 Screening compound: 2-[(E)-1-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6,7-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4003
2-[(E)-1-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6,7-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-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

8009-4003

Molecular Formula

C20H17ClN2O3S (C20 H17 ClN2 O3 S)

Compound Name

2-[(E)-1-(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-6,7-dimethyl[1,3]thiazolo[3,2-a][1,3]benzimidazol-3(2H)-one

IUPAC name

(4E)-4-[(3-chloro-5-ethoxy-4-hydroxyphenyl)methylidene]-1011-dimethyl-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-one

SMILES

CCOc1cc(/C=C2/Sc3nc(cc(C)c(C)c4)c4n3C2=O)cc(Cl)c1O

InChI

InChI=1S/C20H17ClN2O3S/c1-4-26-16-8-12(7-13(21)18(16)24)9-17-19(25)23-15-6-11(3)10(2)5-14(15)22-20(23)27-17/h5-9,24H,4H2,1-3H3

InChI Key

INGZALNDAUQEQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01571974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.694

Distribution Coefficient, logD

5.654

Water Solubility, LogSw

-5.50

Polar Surface Area

47.142

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8009-4003 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8009-4003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4003?
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What is the minimum amount of 8009-4003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4003
  • 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 8009-4003 available by request