E235-0167 Screening compound: N~7~-[2-(1-cyclohexenyl)ethyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide

E235-0167 Screening compound: N~7~-[2-(1-cyclohexenyl)ethyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide
E235-0167 Screening compound: N~7~-[2-(1-cyclohexenyl)ethyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E235-0167
N~7~-[2-(1-cyclohexenyl)ethyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide

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

E235-0167

Molecular Formula

C25H25N3OS (C25 H25 N3 OS)

Compound Name

N~7~-[2-(1-cyclohexenyl)ethyl]-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(4-methylphenyl)-7-thia-25-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaene-10-carboxamide

SMILES

Cc(cc1)ccc1-c1cn(c(ccc(C(NCCC2=CCCCC2)=O)c2)c2s2)c2n1

InChI

InChI=1S/C25H25N3OS/c1-17-7-9-19(10-8-17)21-16-28-22-12-11-20(15-23(22)30-25(28)27-21)24(29)26-14-13-18-5-3-2-4-6-18/h5,7-12,15-16H,2-4,6,13-14H2,1H3,(H,26,29)

InChI Key

ILPGKRQFXUSOIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14851365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.777

Distribution Coefficient, logD

5.634

Water Solubility, LogSw

-5.22

Polar Surface Area

33.392

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

E235-0167 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D

References: we are preparing a list of scientific research reports with E235-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E235-0167?
Check Price and Availability of E235-0167, 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 E235-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E235-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E235-0167
  • 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 E235-0167 available by request