S553-0058 Screening compound: 2-(4-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-4-one
Chemical Structure Depiction of ChemDiv screening compound S553-0058
2-(4-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-4-one
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
S553-0058
Molecular Formula
C11H9ClN2O (C11 H9 ClN2 O)
Compound Name
2-(4-chlorophenyl)-6-methyl-3,4-dihydropyrimidin-4-one
IUPAC name
2-(4-chlorophenyl)-6-methyl-34-dihydropyrimidin-4-one
SMILES
CC(N=C(c(cc1)ccc1Cl)N1)=CC1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
220.66
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
1.00
Number of Nitrogen and Oxygen Atoms
3
Partition Coefficient, logP
2.105
Distribution Coefficient, logD
0.231
Water Solubility, LogSw
-3.20
Polar Surface Area
34.690
Acid Dissociation Constant (pKa)
5.53
Base Dissociation Constant (pKb)
4.40
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
9.10
S553-0058 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anti-Aging Library (44940 compounds)
Antiparasite Library (23996 compounds)
Cardiovascular Library (22201 compounds)
Dark Chemical Matter Library (18430 compounds)
Fragments Library (11262 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Regenerative Medicine Focused Library (23016 compounds)
Soluble Diversity Library (15920 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Pool
- Fragments
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Infections
- Immune system
- animal
- Cardiovascular
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Musculoskeletal
- Digestive system
- Hemic and lymphatic
- Cardiovascular
- Skin
- wounds
- Epigenetic
- Epigenetic
- Agro
- Others
References: we are preparing a list of scientific research reports with S553-0058 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)