2712-4351 Screening compound: ethyl 6-methyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

2712-4351 Screening compound: ethyl 6-methyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2712-4351 Screening compound: ethyl 6-methyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2712-4351
ethyl 6-methyl-2-{2-[4-(2,4,4-trimethylpentan-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

2712-4351

Molecular Formula

C28H39NO4S (C28 H39 NO4 S)

Compound Name

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

IUPAC name

ethyl 6-methyl-2-{2-[4-(244-trimethylpentan-2-yl)phenoxy]acetamido}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(COc2ccc(C(C)(C)CC(C)(C)C)cc2)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C28H39NO4S/c1-8-32-26(31)24-21-14-9-18(2)15-22(21)34-25(24)29-23(30)16-33-20-12-10-19(11-13-20)28(6,7)17-27(3,4)5/h10-13,18H,8-9,14-17H2,1-7H3,(H,29,30)/t18-/m1/s1

InChI Key

XLDRPYPDZMCSDU-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01847950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.719

Distribution Coefficient, logD

5.537

Water Solubility, LogSw

-5.89

Polar Surface Area

51.084

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

2712-4351 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 2712-4351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2712-4351?
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What is the minimum amount of 2712-4351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2712-4351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2712-4351
  • 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 2712-4351 available by request