V004-5152 Screening compound: 2-[3-(3,4-dimethylphenyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]-N-[(furan-2-yl)methyl]propanamide
Chemical Structure Depiction of ChemDiv screening compound V004-5152
2-[3-(3,4-dimethylphenyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]-N-[(furan-2-yl)methyl]propanamide
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
V004-5152
Molecular Formula
C25H25N3O4 (C25 H25 N3 O4)
Compound Name
2-[3-(3,4-dimethylphenyl)-6-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]-N-[(furan-2-yl)methyl]propanamide
IUPAC name
2-[3-(34-dimethylphenyl)-6-methyl-24-dioxo-1234-tetrahydroquinazolin-1-yl]-N-[(furan-2-yl)methyl]propanamide
SMILES
CC(C(NCc1ccco1)=O)N(c(ccc(C)c1)c1C(N1c2cc(C)c(C)cc2)=O)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
431.49
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
4.045
Distribution Coefficient, logD
4.045
Water Solubility, LogSw
-4.12
Polar Surface Area
62.430
Acid Dissociation Constant (pKa)
12.99
Base Dissociation Constant (pKb)
-0.97
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
24.00
V004-5152 in Drug Discovery
Included in Screening Libraries
3D-Pharmacophore Based Diversity Library (49813 compounds)
Anti-Inflammatory Library (24602 compounds)
Anticancer Library (62698 compounds)
Included in 1.7M Stock Database
- Immune system
- Cancer
References: we are preparing a list of scientific research reports with V004-5152 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)