K285-0158 Screening compound: ethyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of ChemDiv screening compound K285-0158
ethyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-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
K285-0158
Molecular Formula
C28H33N3O5S2 (C28 H33 N3 O5 S2)
Compound Name
ethyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
IUPAC name
ethyl 3-[2-(cyclohex-1-en-1-yl)ethyl]-2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate
SMILES
CCOC(c1c(C)c(C(N(CCC2=CCCCC2)C(SCC(Nc(cc2)ccc2OCC)=O)=N2)=O)c2s1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
555.72
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
13.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
5.688
Distribution Coefficient, logD
5.688
Water Solubility, LogSw
-5.41
Polar Surface Area
76.871
Acid Dissociation Constant (pKa)
12.70
Base Dissociation Constant (pKb)
0.56
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
42.90
K285-0158 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)
Regenerative Medicine Focused Library (23016 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- PPI modulators
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with K285-0158 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)