L068-0371 Screening compound: ethyl 7-{1-[(2,3-dimethylphenyl)carbamoyl]ethoxy}-2-acetamido-6-methyl-1-benzothiophene-3-carboxylate

L068-0371 Screening compound: ethyl 7-{1-[(2,3-dimethylphenyl)carbamoyl]ethoxy}-2-acetamido-6-methyl-1-benzothiophene-3-carboxylate
L068-0371 Screening compound: ethyl 7-{1-[(2,3-dimethylphenyl)carbamoyl]ethoxy}-2-acetamido-6-methyl-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L068-0371
ethyl 7-{1-[(2,3-dimethylphenyl)carbamoyl]ethoxy}-2-acetamido-6-methyl-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

L068-0371

Molecular Formula

C25H28N2O5S (C25 H28 N2 O5 S)

Compound Name

ethyl 7-{1-[(2,3-dimethylphenyl)carbamoyl]ethoxy}-2-acetamido-6-methyl-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 7-{1-[(23-dimethylphenyl)carbamoyl]ethoxy}-2-acetamido-6-methyl-1-benzothiophene-3-carboxylate

SMILES

CCOC(c(c1ccc2C)c(NC(C)=O)sc1c2OC(C)C(Nc1c(C)c(C)ccc1)=O)=O

InChI

InChI=1S/C25H28N2O5S/c1-7-31-25(30)20-18-12-11-14(3)21(22(18)33-24(20)26-17(6)28)32-16(5)23(29)27-19-10-8-9-13(2)15(19)4/h8-12,16H,7H2,1-6H3,(H,26,28)(H,27,29)/t16-/m0/s1

InChI Key

OOQBPWKLSALPRE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15117478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.396

Distribution Coefficient, logD

5.389

Water Solubility, LogSw

-5.60

Polar Surface Area

73.133

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

-0.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

L068-0371 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L068-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L068-0371?
Check Price and Availability of L068-0371, 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 L068-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L068-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L068-0371
  • 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 L068-0371 available by request