E235-0411 Screening compound: 2-(4-methoxyphenyl)-N~7~-[3-(methylsulfanyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-7-carboxamide

E235-0411 Screening compound: 2-(4-methoxyphenyl)-N~7~-[3-(methylsulfanyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-7-carboxamide
E235-0411 Screening compound: 2-(4-methoxyphenyl)-N~7~-[3-(methylsulfanyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E235-0411
2-(4-methoxyphenyl)-N~7~-[3-(methylsulfanyl)phenyl]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

E235-0411

Molecular Formula

C24H19N3O2S2 (C24 H19 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1cn(c(ccc(C(Nc2cc(SC)ccc2)=O)c2)c2s2)c2n1

InChI

InChI=1S/C24H19N3O2S2/c1-29-18-9-6-15(7-10-18)20-14-27-21-11-8-16(12-22(21)31-24(27)26-20)23(28)25-17-4-3-5-19(13-17)30-2/h3-14H,1-2H3,(H,25,28)

InChI Key

NEPRPPXVOMQHNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14851451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.827

Distribution Coefficient, logD

5.808

Water Solubility, LogSw

-5.43

Polar Surface Area

39.580

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

E235-0411 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cardiovascular Library (22201 compounds)

Human Receptors Annotated Library (5376 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
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with E235-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E235-0411?
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What is the minimum amount of E235-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E235-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E235-0411
  • 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 E235-0411 available by request