L311-0080 Screening compound: methyl 3-ethoxy-5-{[(2-methoxyethyl)carbamoyl]amino}-1-benzothiophene-2-carboxylate

L311-0080 Screening compound: methyl 3-ethoxy-5-{[(2-methoxyethyl)carbamoyl]amino}-1-benzothiophene-2-carboxylate
L311-0080 Screening compound: methyl 3-ethoxy-5-{[(2-methoxyethyl)carbamoyl]amino}-1-benzothiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L311-0080
methyl 3-ethoxy-5-{[(2-methoxyethyl)carbamoyl]amino}-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

L311-0080

Molecular Formula

C16H20N2O5S (C16 H20 N2 O5 S)

Compound Name

methyl 3-ethoxy-5-{[(2-methoxyethyl)carbamoyl]amino}-1-benzothiophene-2-carboxylate

IUPAC name

methyl 3-ethoxy-5-{[(2-methoxyethyl)carbamoyl]amino}-1-benzothiophene-2-carboxylate

SMILES

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

InChI

InChI=1S/C16H20N2O5S/c1-4-23-13-11-9-10(18-16(20)17-7-8-21-2)5-6-12(11)24-14(13)15(19)22-3/h5-6,9H,4,7-8H2,1-3H3,(H2,17,18,20)

InChI Key

NQYZXJYBJGUFAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27244680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.969

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-3.38

Polar Surface Area

71.537

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L311-0080 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Anti-HIV1 Library (19540 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 L311-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L311-0080?
Check Price and Availability of L311-0080, 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 L311-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L311-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L311-0080
  • 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 L311-0080 available by request