3772-7678 Screening compound: ethyl 6-methyl-2-[2-(2-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3772-7678 Screening compound: ethyl 6-methyl-2-[2-(2-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3772-7678 Screening compound: ethyl 6-methyl-2-[2-(2-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-7678
ethyl 6-methyl-2-[2-(2-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

3772-7678

Molecular Formula

C21H25NO4S (C21 H25 NO4 S)

Compound Name

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

IUPAC name

ethyl 6-methyl-2-[2-(2-methylphenoxy)acetamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(COc2c(C)cccc2)=O)sc2c1CCC(C)C2)=O

InChI

InChI=1S/C21H25NO4S/c1-4-25-21(24)19-15-10-9-13(2)11-17(15)27-20(19)22-18(23)12-26-16-8-6-5-7-14(16)3/h5-8,13H,4,9-12H2,1-3H3,(H,22,23)/t13-/m1/s1

InChI Key

UWIRUBKZGVKWII-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01530602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.056

Distribution Coefficient, logD

2.874

Water Solubility, LogSw

-4.74

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

42.90

References: we are preparing a list of scientific research reports with 3772-7678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-7678?
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What is the minimum amount of 3772-7678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-7678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-7678
  • 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 3772-7678 available by request