3232-1747 Screening compound: ethyl 6-methyl-2-{2-[5-methyl-2-(propan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3232-1747 Screening compound: ethyl 6-methyl-2-{2-[5-methyl-2-(propan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3232-1747 Screening compound: ethyl 6-methyl-2-{2-[5-methyl-2-(propan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3232-1747
ethyl 6-methyl-2-{2-[5-methyl-2-(propan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

3232-1747

Molecular Formula

C24H31NO4S (C24 H31 NO4 S)

Compound Name

ethyl 6-methyl-2-{2-[5-methyl-2-(propan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 6-methyl-2-{2-[5-methyl-2-(propan-2-yl)phenoxy]acetamido}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(COc2c(C(C)C)ccc(C)c2)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C24H31NO4S/c1-6-28-24(27)22-18-10-8-16(5)12-20(18)30-23(22)25-21(26)13-29-19-11-15(4)7-9-17(19)14(2)3/h7,9,11,14,16H,6,8,10,12-13H2,1-5H3,(H,25,26)/t16-/m1/s1

InChI Key

WNXLMSLRYSYLNI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD01530478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.362

Distribution Coefficient, logD

4.181

Water Solubility, LogSw

-5.50

Polar Surface Area

51.171

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-4.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

3232-1747 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 3232-1747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3232-1747?
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What is the minimum amount of 3232-1747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3232-1747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3232-1747
  • 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 3232-1747 available by request