E676-3231 Screening compound: N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide

E676-3231 Screening compound: N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide
E676-3231 Screening compound: N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E676-3231
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide

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

E676-3231

Molecular Formula

C22H26FN3O2S (C22 H26 FN3 O2 S)

Compound Name

N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)-3-phenoxypropanamide

IUPAC name

N-[2-(diethylamino)ethyl]-N-(6-fluoro-13-benzothiazol-2-yl)-3-phenoxypropanamide

SMILES

CCN(CC)CCN(C(CCOc1ccccc1)=O)c1nc(ccc(F)c2)c2s1

InChI

InChI=1S/C22H26FN3O2S/c1-3-25(4-2)13-14-26(21(27)12-15-28-18-8-6-5-7-9-18)22-24-19-11-10-17(23)16-20(19)29-22/h5-11,16H,3-4,12-15H2,1-2H3

InChI Key

DQWVQFNNWTVFON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11985224

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

415.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.155

Distribution Coefficient, logD

4.159

Water Solubility, LogSw

-4.97

Polar Surface Area

35.676

Acid Dissociation Constant (pKa)

23.29

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E676-3231 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with E676-3231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E676-3231?
Check Price and Availability of E676-3231, 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 E676-3231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E676-3231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E676-3231
  • 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 E676-3231 available by request