J026-3848 Screening compound: methyl 3-{[4-(methoxycarbonyl)phenyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
Chemical Structure Depiction of ChemDiv screening compound J026-3848
methyl 3-{[4-(methoxycarbonyl)phenyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-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
J026-3848
Molecular Formula
C20H19N3O6 (C20 H19 N3 O6)
Compound Name
methyl 3-{[4-(methoxycarbonyl)phenyl]methyl}-1,7-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-5-carboxylate
IUPAC name
methyl 3-{[4-(methoxycarbonyl)phenyl]methyl}-17-dimethyl-24-dioxo-1H2H3H4H-pyrido[23-d]pyrimidine-5-carboxylate
SMILES
Cc(cc1C(OC)=O)nc(N(C)C(N2Cc(cc3)ccc3C(OC)=O)=O)c1C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
397.39
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
2.919
Distribution Coefficient, logD
2.919
Water Solubility, LogSw
-3.09
Polar Surface Area
83.357
Acid Dissociation Constant (pKa)
26.88
Base Dissociation Constant (pKb)
2.65
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
25.00
J026-3848 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
Antiviral Library (67538 compounds)
Chelators targeting matrix metalloproteinases library (8930 compounds)
Included in 1.7M Stock Database
- Immune system
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Cardiovascular
- Proteases
References: we are preparing a list of scientific research reports with J026-3848 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)