4491-1268 Screening compound: 2-[2-(2,4-dimethylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

4491-1268 Screening compound: 2-[2-(2,4-dimethylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
4491-1268 Screening compound: 2-[2-(2,4-dimethylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1268
2-[2-(2,4-dimethylphenoxy)acetamido]-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

4491-1268

Molecular Formula

C19H22N2O3S (C19 H22 N2 O3 S)

Compound Name

2-[2-(2,4-dimethylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-[2-(24-dimethylphenoxy)acetamido]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

Cc(cc1)cc(C)c1OCC(Nc1c(C(N)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C19H22N2O3S/c1-11-7-8-14(12(2)9-11)24-10-16(22)21-19-17(18(20)23)13-5-3-4-6-15(13)25-19/h7-9H,3-6,10H2,1-2H3,(H2,20,23)(H,21,22)

InChI Key

IRKVQJPROLMWTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02081586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

2.768

Water Solubility, LogSw

-3.27

Polar Surface Area

64.476

Acid Dissociation Constant (pKa)

7.29

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 4491-1268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1268?
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What is the minimum amount of 4491-1268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1268
  • 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 4491-1268 available by request