2798-0843 Screening compound: methyl 2-[2-(4-ethylphenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

2798-0843 Screening compound: methyl 2-[2-(4-ethylphenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2798-0843 Screening compound: methyl 2-[2-(4-ethylphenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-0843
methyl 2-[2-(4-ethylphenoxy)acetamido]-6-methyl-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

2798-0843

Molecular Formula

C21H25NO4S (C21 H25 NO4 S)

Compound Name

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

IUPAC name

methyl 2-[2-(4-ethylphenoxy)acetamido]-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCc(cc1)ccc1OCC(Nc1c(C(OC)=O)c(CCC(C)C2)c2s1)=O

InChI

InChI=1S/C21H25NO4S/c1-4-14-6-8-15(9-7-14)26-12-18(23)22-20-19(21(24)25-3)16-10-5-13(2)11-17(16)27-20/h6-9,13H,4-5,10-12H2,1-3H3,(H,22,23)/t13-/m1/s1

InChI Key

YMVJPRLKLICJMP-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD02080786

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

5.129

Distribution Coefficient, logD

2.947

Water Solubility, LogSw

-5.15

Polar Surface Area

51.504

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 2798-0843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-0843?
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What is the minimum amount of 2798-0843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-0843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-0843
  • 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 2798-0843 available by request