K403-0236 Screening compound: ethyl 2-{2-[(4-cyclohexyl-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
Chemical Structure Depiction of ChemDiv screening compound K403-0236
ethyl 2-{2-[(4-cyclohexyl-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-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
K403-0236
Molecular Formula
C30H37N5O5S2 (C30 H37 N5 O5 S2)
Compound Name
ethyl 2-{2-[(4-cyclohexyl-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
IUPAC name
ethyl 2-{2-[(4-cyclohexyl-5-{[2-(4-methoxyphenyl)acetamido]methyl}-4H-124-triazol-3-yl)sulfanyl]acetamido}-4H5H6H-cyclopenta[b]thiophene-3-carboxylate
SMILES
CCOC(c1c(NC(CSc2nnc(CNC(Cc(cc3)ccc3OC)=O)n2C2CCCCC2)=O)sc2c1CCC2)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
611.79
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
15.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
4.441
Distribution Coefficient, logD
2.370
Water Solubility, LogSw
-4.36
Polar Surface Area
101.521
Acid Dissociation Constant (pKa)
5.33
Base Dissociation Constant (pKb)
1.40
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
50.00
K403-0236 in Drug Discovery
Included in Screening Libraries
3CLpro Library (4801 compounds)
CORONAVIRUS Library (20774 compounds)
Eccentric PPI Library (11937 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with K403-0236 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)