E235-1193 Screening compound: N~7~-(3-methoxybenzyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide

E235-1193 Screening compound: N~7~-(3-methoxybenzyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide
E235-1193 Screening compound: N~7~-(3-methoxybenzyl)-2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E235-1193
N~7~-(3-methoxybenzyl)-2-(3-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

E235-1193

Molecular Formula

C25H21N3O3S (C25 H21 N3 O3 S)

Compound Name

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

IUPAC name

4-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-7-thia-25-diazatricyclo[6.4.0.0^{26}]dodeca-1(12)35810-pentaene-10-carboxamide

SMILES

COc1cccc(CNC(c(cc2)cc(s3)c2n2c3nc(-c3cc(OC)ccc3)c2)=O)c1

InChI

InChI=1S/C25H21N3O3S/c1-30-19-7-3-5-16(11-19)14-26-24(29)18-9-10-22-23(13-18)32-25-27-21(15-28(22)25)17-6-4-8-20(12-17)31-2/h3-13,15H,14H2,1-2H3,(H,26,29)

InChI Key

YVKXYQHCKRDQHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14851575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.085

Distribution Coefficient, logD

4.561

Water Solubility, LogSw

-4.82

Polar Surface Area

48.446

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

E235-1193 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Annotated Library (21441 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
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with E235-1193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E235-1193?
Check Price and Availability of E235-1193, 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 E235-1193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E235-1193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E235-1193
  • 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 E235-1193 available by request