L312-0047 Screening compound: methyl 3-ethoxy-5-(3-phenylpropanamido)-1-benzothiophene-2-carboxylate

L312-0047 Screening compound: methyl 3-ethoxy-5-(3-phenylpropanamido)-1-benzothiophene-2-carboxylate
L312-0047 Screening compound: methyl 3-ethoxy-5-(3-phenylpropanamido)-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L312-0047
methyl 3-ethoxy-5-(3-phenylpropanamido)-1-benzothiophene-2-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

L312-0047

Molecular Formula

C21H21NO4S (C21 H21 NO4 S)

Compound Name

methyl 3-ethoxy-5-(3-phenylpropanamido)-1-benzothiophene-2-carboxylate

IUPAC name

methyl 3-ethoxy-5-(3-phenylpropanamido)-1-benzothiophene-2-carboxylate

SMILES

CCOc1c(C(OC)=O)sc(cc2)c1cc2NC(CCc1ccccc1)=O

InChI

InChI=1S/C21H21NO4S/c1-3-26-19-16-13-15(10-11-17(16)27-20(19)21(24)25-2)22-18(23)12-9-14-7-5-4-6-8-14/h4-8,10-11,13H,3,9,12H2,1-2H3,(H,22,23)

InChI Key

RAVKRBYAAFIKCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.743

Distribution Coefficient, logD

4.743

Water Solubility, LogSw

-4.56

Polar Surface Area

52.334

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with L312-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L312-0047?
Check Price and Availability of L312-0047, 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 L312-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L312-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L312-0047
  • 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 L312-0047 available by request