8009-8795 Screening compound: 2-[5-chloro-3-methyl-1,3-benzothiazol-2(3H)-yliden][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

8009-8795 Screening compound: 2-[5-chloro-3-methyl-1,3-benzothiazol-2(3H)-yliden][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one
8009-8795 Screening compound: 2-[5-chloro-3-methyl-1,3-benzothiazol-2(3H)-yliden][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8795
2-[5-chloro-3-methyl-1,3-benzothiazol-2(3H)-yliden][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

8009-8795

Molecular Formula

C17H10ClN3OS2 (C17 H10 ClN3 OS2)

Compound Name

2-[5-chloro-3-methyl-1,3-benzothiazol-2(3H)-yliden][1,3]thiazolo[3,2-a][1,3]benzimidazol-3-one

IUPAC name

4-[(2Z)-5-chloro-3-methyl-23-dihydro-13-benzothiazol-2-ylidene]-5-thia-27-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)6911-tetraen-3-one

SMILES

CN(c(cc(cc1)Cl)c1S1)/C1=C1/Sc2nc(cccc3)c3n2C1=O

InChI

InChI=1S/C17H10ClN3OS2/c1-20-12-8-9(18)6-7-13(12)23-16(20)14-15(22)21-11-5-3-2-4-10(11)19-17(21)24-14/h2-8H,1H3

InChI Key

UDEQARJOSWEIME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.383

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.56

Polar Surface Area

28.627

Acid Dissociation Constant (pKa)

31.37

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

8009-8795 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-8795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8795?
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What is the minimum amount of 8009-8795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8795
  • 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 8009-8795 available by request