E677-2065 Screening compound: 4-acetyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide

E677-2065 Screening compound: 4-acetyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide
E677-2065 Screening compound: 4-acetyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E677-2065
4-acetyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide

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

E677-2065

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

4-acetyl-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide

IUPAC name

4-acetyl-N-(45-dimethyl-13-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide

SMILES

CC(c(cc1)ccc1C(N(CCCN(C)C)c1nc(c(C)c(C)cc2)c2s1)=O)=O

InChI

InChI=1S/C23H27N3O2S/c1-15-7-12-20-21(16(15)2)24-23(29-20)26(14-6-13-25(4)5)22(28)19-10-8-18(9-11-19)17(3)27/h7-12H,6,13-14H2,1-5H3

InChI Key

MNHGZIQVZMKLST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985927

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.222

Distribution Coefficient, logD

2.074

Water Solubility, LogSw

-4.14

Polar Surface Area

43.838

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

9.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

E677-2065 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Adenosine Receptors Targeted Library (19896 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:
  • Nervous system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E677-2065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E677-2065?
Check Price and Availability of E677-2065, 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 E677-2065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E677-2065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E677-2065
  • 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 E677-2065 available by request