E676-0502 Screening compound: N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

E676-0502 Screening compound: N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide
E676-0502 Screening compound: N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-0502
N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

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

E676-0502

Molecular Formula

C20H22FN3OS2 (C20 H22 FN3 OS2)

Compound Name

N-[2-(dimethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

IUPAC name

N-[2-(dimethylamino)ethyl]-N-(6-fluoro-13-benzothiazol-2-yl)-3-(phenylsulfanyl)propanamide

SMILES

CN(C)CCN(C(CCSc1ccccc1)=O)c1nc(ccc(F)c2)c2s1

InChI

InChI=1S/C20H22FN3OS2/c1-23(2)11-12-24(19(25)10-13-26-16-6-4-3-5-7-16)20-22-17-9-8-15(21)14-18(17)27-20/h3-9,14H,10-13H2,1-2H3

InChI Key

MIKYQDQUWIBDIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11984741

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

403.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.695

Distribution Coefficient, logD

3.965

Water Solubility, LogSw

-4.41

Polar Surface Area

28.713

Acid Dissociation Constant (pKa)

23.29

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

E676-0502 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous 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 E676-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-0502?
Check Price and Availability of E676-0502, 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 E676-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-0502
  • 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 E676-0502 available by request