5756-0864 Screening compound: 2-benzamido-N-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

5756-0864 Screening compound: 2-benzamido-N-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
5756-0864 Screening compound: 2-benzamido-N-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5756-0864
2-benzamido-N-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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

5756-0864

Molecular Formula

C21H24N2O3S (C21 H24 N2 O3 S)

Compound Name

2-benzamido-N-[(oxolan-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-benzamido-N-[(oxolan-2-yl)methyl]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

O=C(c1c(NC(c2ccccc2)=O)sc2c1CCCC2)NCC1OCCC1

InChI

InChI=1S/C21H24N2O3S/c24-19(14-7-2-1-3-8-14)23-21-18(16-10-4-5-11-17(16)27-21)20(25)22-13-15-9-6-12-26-15/h1-3,7-8,15H,4-6,9-13H2,(H,22,25)(H,23,24)/t15-/m1/s1

InChI Key

VWKBJXQYXXZGRP-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02977996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.026

Distribution Coefficient, logD

0.921

Water Solubility, LogSw

-3.40

Polar Surface Area

56.112

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

5756-0864 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 5756-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5756-0864?
Check Price and Availability of 5756-0864, 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 5756-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5756-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5756-0864
  • 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 5756-0864 available by request