L312-0018 Screening compound: methyl 5-(3,5-dimethoxybenzamido)-3-ethoxy-1-benzothiophene-2-carboxylate

L312-0018 Screening compound: methyl 5-(3,5-dimethoxybenzamido)-3-ethoxy-1-benzothiophene-2-carboxylate
L312-0018 Screening compound: methyl 5-(3,5-dimethoxybenzamido)-3-ethoxy-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L312-0018
methyl 5-(3,5-dimethoxybenzamido)-3-ethoxy-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

L312-0018

Molecular Formula

C21H21NO6S (C21 H21 NO6 S)

Compound Name

methyl 5-(3,5-dimethoxybenzamido)-3-ethoxy-1-benzothiophene-2-carboxylate

IUPAC name

methyl 5-(35-dimethoxybenzamido)-3-ethoxy-1-benzothiophene-2-carboxylate

SMILES

CCOc1c(C(OC)=O)sc(cc2)c1cc2NC(c1cc(OC)cc(OC)c1)=O

InChI

InChI=1S/C21H21NO6S/c1-5-28-18-16-10-13(6-7-17(16)29-19(18)21(24)27-4)22-20(23)12-8-14(25-2)11-15(9-12)26-3/h6-11H,5H2,1-4H3,(H,22,23)

InChI Key

GABWBYXFSNOBBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15123426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.632

Distribution Coefficient, logD

4.632

Water Solubility, LogSw

-4.31

Polar Surface Area

67.635

Acid Dissociation Constant (pKa)

11.82

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L312-0018 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L312-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L312-0018?
Check Price and Availability of L312-0018, 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 L312-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L312-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L312-0018
  • 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 L312-0018 available by request