E235-0438 Screening compound: N~7~-[2-(1-cyclohexenyl)ethyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide

E235-0438 Screening compound: N~7~-[2-(1-cyclohexenyl)ethyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide
E235-0438 Screening compound: N~7~-[2-(1-cyclohexenyl)ethyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E235-0438
N~7~-[2-(1-cyclohexenyl)ethyl]-2-(4-methoxyphenyl)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

E235-0438

Molecular Formula

C25H25N3O2S (C25 H25 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H25N3O2S/c1-30-20-10-7-18(8-11-20)21-16-28-22-12-9-19(15-23(22)31-25(28)27-21)24(29)26-14-13-17-5-3-2-4-6-17/h5,7-12,15-16H,2-4,6,13-14H2,1H3,(H,26,29)

InChI Key

WTDRJPLGJSJKGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14851465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.336

Distribution Coefficient, logD

5.317

Water Solubility, LogSw

-5.11

Polar Surface Area

40.936

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

E235-0438 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E235-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E235-0438?
Check Price and Availability of E235-0438, 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 E235-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E235-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E235-0438
  • 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 E235-0438 available by request