3999-6397 Screening compound: (4-methylphenyl)methyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of ChemDiv screening compound 3999-6397
(4-methylphenyl)methyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-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
3999-6397
Molecular Formula
C21H22N2O4 (C21 H22 N2 O4)
Compound Name
(4-methylphenyl)methyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
IUPAC name
(4-methylphenyl)methyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate
SMILES
Cc1ccc(COC(C(C(c(cc2)ccc2OC)N2)=C(C)NC2=O)=O)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
366.42
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.025
Distribution Coefficient, logD
2.935
Water Solubility, LogSw
-3.28
Polar Surface Area
64.093
Acid Dissociation Constant (pKa)
8.04
Base Dissociation Constant (pKb)
-4.03
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
23.80
3999-6397 in Drug Discovery
Included in Screening Libraries
Anti-infective Library (19449 compounds)
Included in 1.7M Stock Database
- Infections
- Immune system
- animal
References: we are preparing a list of scientific research reports with 3999-6397 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)