2279-5171 Screening compound: methyl 2-[2-(3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

2279-5171 Screening compound: methyl 2-[2-(3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2279-5171 Screening compound: methyl 2-[2-(3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-5171
methyl 2-[2-(3-methylphenoxy)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

2279-5171

Molecular Formula

C19H21NO4S (C19 H21 NO4 S)

Compound Name

methyl 2-[2-(3-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-[2-(3-methylphenoxy)acetamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

Cc1cccc(OCC(Nc2c(C(OC)=O)c(CCCC3)c3s2)=O)c1

InChI

InChI=1S/C19H21NO4S/c1-12-6-5-7-13(10-12)24-11-16(21)20-18-17(19(22)23-2)14-8-3-4-9-15(14)25-18/h5-7,10H,3-4,8-9,11H2,1-2H3,(H,20,21)

InChI Key

HTQMKIPQHRVNBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02157334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.256

Distribution Coefficient, logD

2.074

Water Solubility, LogSw

-4.52

Polar Surface Area

51.504

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 2279-5171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-5171?
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What is the minimum amount of 2279-5171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-5171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-5171
  • 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 2279-5171 available by request