E677-0565 Screening compound: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-oxo-2H-chromene-3-carboxamide

E677-0565 Screening compound: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-oxo-2H-chromene-3-carboxamide
E677-0565 Screening compound: N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-oxo-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-0565
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-oxo-2H-chromene-3-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

E677-0565

Molecular Formula

C22H20ClN3O3S (C22 H20 ClN3 O3 S)

Compound Name

N-(6-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-oxo-2H-chromene-3-carboxamide

IUPAC name

N-(6-chloro-13-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-oxo-2H-chromene-3-carboxamide

SMILES

CN(C)CCCN(C(C1=Cc(cccc2)c2OC1=O)=O)c1nc(ccc(Cl)c2)c2s1

InChI

InChI=1S/C22H20ClN3O3S/c1-25(2)10-5-11-26(22-24-17-9-8-15(23)13-19(17)30-22)20(27)16-12-14-6-3-4-7-18(14)29-21(16)28/h3-4,6-9,12-13H,5,10-11H2,1-2H3

InChI Key

ULZYUJBCMQURPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985608

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

441.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.288

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-4.66

Polar Surface Area

50.162

Acid Dissociation Constant (pKa)

24.66

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E677-0565 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Structure:
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with E677-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-0565?
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What is the minimum amount of E677-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-0565
  • 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 E677-0565 available by request