E677-0051 Screening compound: 3-chloro-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide

E677-0051 Screening compound: 3-chloro-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
E677-0051 Screening compound: 3-chloro-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-0051
3-chloro-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-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

E677-0051

Molecular Formula

C22H22ClN3OS2 (C22 H22 ClN3 OS2)

Compound Name

3-chloro-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-[3-(dimethylamino)propyl]-N-(6-methyl-13-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide

SMILES

Cc(cc1)cc2c1nc(N(CCCN(C)C)C(c(sc1c3cccc1)c3Cl)=O)s2

InChI

InChI=1S/C22H22ClN3OS2/c1-14-9-10-16-18(13-14)29-22(24-16)26(12-6-11-25(2)3)21(27)20-19(23)15-7-4-5-8-17(15)28-20/h4-5,7-10,13H,6,11-12H2,1-3H3

InChI Key

NUDBUQXZPYOHDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09972650

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

444.02

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.060

Distribution Coefficient, logD

3.912

Water Solubility, LogSw

-6.17

Polar Surface Area

29.987

Acid Dissociation Constant (pKa)

25.07

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E677-0051 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E677-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-0051?
Check Price and Availability of E677-0051, 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 E677-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-0051
  • 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 E677-0051 available by request