C686-1184 Screening compound: 3-cyclopentaneamido-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C686-1184
3-cyclopentaneamido-N-(4-methylphenyl)-1-benzofuran-2-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
C686-1184
Molecular Formula
C22H22N2O3 (C22 H22 N2 O3)
Compound Name
3-cyclopentaneamido-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
IUPAC name
3-cyclopentaneamido-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
SMILES
Cc(cc1)ccc1NC(c(oc1c2cccc1)c2NC(C1CCCC1)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
362.43
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.754
Distribution Coefficient, logD
4.751
Water Solubility, LogSw
-4.68
Polar Surface Area
54.109
Acid Dissociation Constant (pKa)
9.61
Base Dissociation Constant (pKb)
2.35
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
27.30
C686-1184 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
Antiviral Library (67538 compounds)
CORONAVIRUS Library (20774 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with C686-1184 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)