E676-1113 Screening compound: N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide

E676-1113 Screening compound: N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide
E676-1113 Screening compound: N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-1113
N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide

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

E676-1113

Molecular Formula

C21H25N3O2S (C21 H25 N3 O2 S)

Compound Name

N-[2-(dimethylamino)ethyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-phenylpropanamide

IUPAC name

N-[2-(dimethylamino)ethyl]-N-(4-methoxy-13-benzothiazol-2-yl)-3-phenylpropanamide

SMILES

CN(C)CCN(C(CCc1ccccc1)=O)c1nc(c(OC)ccc2)c2s1

InChI

InChI=1S/C21H25N3O2S/c1-23(2)14-15-24(19(25)13-12-16-8-5-4-6-9-16)21-22-20-17(26-3)10-7-11-18(20)27-21/h4-11H,12-15H2,1-3H3

InChI Key

UMWZXKIVUZVUOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11984850

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

383.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.467

Distribution Coefficient, logD

3.737

Water Solubility, LogSw

-4.46

Polar Surface Area

37.114

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

E676-1113 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E676-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-1113?
Check Price and Availability of E676-1113, 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 E676-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-1113
  • 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 E676-1113 available by request