4476-2655 Screening compound: N~3~-ethyl-2-{[2-(4-fluorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

4476-2655 Screening compound: N~3~-ethyl-2-{[2-(4-fluorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
4476-2655 Screening compound: N~3~-ethyl-2-{[2-(4-fluorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-2655
N~3~-ethyl-2-{[2-(4-fluorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-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

4476-2655

Molecular Formula

C19H21FN2O3S (C19 H21 FN2 O3 S)

Compound Name

N~3~-ethyl-2-{[2-(4-fluorophenoxy)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-ethyl-2-[2-(4-fluorophenoxy)acetamido]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CCNC(c1c(NC(COc(cc2)ccc2F)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C19H21FN2O3S/c1-2-21-18(24)17-14-5-3-4-6-15(14)26-19(17)22-16(23)11-25-13-9-7-12(20)8-10-13/h7-10H,2-6,11H2,1H3,(H,21,24)(H,22,23)

InChI Key

RGFXRWFSSPFVAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02230554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.257

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-3.72

Polar Surface Area

54.641

Acid Dissociation Constant (pKa)

6.75

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

4476-2655 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4476-2655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-2655?
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What is the minimum amount of 4476-2655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-2655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-2655
  • 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 4476-2655 available by request