8006-2552 Screening compound: ethyl 2-phenylimidazo[2,1-b][1,3]benzothiazole-7-carboxylate

8006-2552 Screening compound: ethyl 2-phenylimidazo[2,1-b][1,3]benzothiazole-7-carboxylate
8006-2552 Screening compound: ethyl 2-phenylimidazo[2,1-b][1,3]benzothiazole-7-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2552
ethyl 2-phenylimidazo[2,1-b][1,3]benzothiazole-7-carboxylate

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

8006-2552

Molecular Formula

C18H14N2O2S (C18 H14 N2 O2 S)

Compound Name

ethyl 2-phenylimidazo[2,1-b][1,3]benzothiazole-7-carboxylate

IUPAC name

ethyl 4-phenyl-7-thia-25-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaene-10-carboxylate

SMILES

CCOC(c(cc1)cc(s2)c1n1c2nc(-c2ccccc2)c1)=O

InChI

InChI=1S/C18H14N2O2S/c1-2-22-17(21)13-8-9-15-16(10-13)23-18-19-14(11-20(15)18)12-6-4-3-5-7-12/h3-11H,2H2,1H3

InChI Key

MOBBXZWGNYONPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.928

Distribution Coefficient, logD

4.899

Water Solubility, LogSw

-4.53

Polar Surface Area

29.699

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8006-2552 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

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

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8006-2552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2552?
Check Price and Availability of 8006-2552, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8006-2552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2552
  • 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 8006-2552 available by request