2798-0032 Screening compound: methyl 2-[2-(2-chlorophenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

2798-0032 Screening compound: methyl 2-[2-(2-chlorophenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2798-0032 Screening compound: methyl 2-[2-(2-chlorophenoxy)acetamido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-0032
methyl 2-[2-(2-chlorophenoxy)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

2798-0032

Molecular Formula

C19H20ClNO4S (C19 H20 ClNO4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)Cc2c1c(C(OC)=O)c(NC(COc(cccc1)c1Cl)=O)s2

InChI

InChI=1S/C19H20ClNO4S/c1-11-7-8-12-15(9-11)26-18(17(12)19(23)24-2)21-16(22)10-25-14-6-4-3-5-13(14)20/h3-6,11H,7-10H2,1-2H3,(H,21,22)/t11-/m1/s1

InChI Key

PEWGQHWFXAFJDV-LLVKDONJSA-N

MDL Number (MFCD)

MFCD01910641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.89

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

4.593

Distribution Coefficient, logD

2.411

Water Solubility, LogSw

-4.83

Polar Surface Area

51.591

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-4.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with 2798-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-0032?
Check Price and Availability of 2798-0032, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2798-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-0032
  • 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 2798-0032 available by request