4112-1747 Screening compound: 2-[4-(2-methylphenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

4112-1747 Screening compound: 2-[4-(2-methylphenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
4112-1747 Screening compound: 2-[4-(2-methylphenoxy)butanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4112-1747
2-[4-(2-methylphenoxy)butanamido]-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

4112-1747

Molecular Formula

C20H24N2O3S (C20 H24 N2 O3 S)

Compound Name

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

IUPAC name

2-[4-(2-methylphenoxy)butanamido]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

Cc(cccc1)c1OCCCC(Nc1c(C(N)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C20H24N2O3S/c1-13-7-2-4-9-15(13)25-12-6-11-17(23)22-20-18(19(21)24)14-8-3-5-10-16(14)26-20/h2,4,7,9H,3,5-6,8,10-12H2,1H3,(H2,21,24)(H,22,23)

InChI Key

QTQJIXYUDZOIKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02362952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.650

Distribution Coefficient, logD

2.205

Water Solubility, LogSw

-3.04

Polar Surface Area

64.394

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 4112-1747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4112-1747?
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What is the minimum amount of 4112-1747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4112-1747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4112-1747
  • 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 4112-1747 available by request