L878-0354 Screening compound: 2-[4-(cyclopentylamino)-2-oxo-1,2-dihydroquinazolin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of ChemDiv screening compound L878-0354
2-[4-(cyclopentylamino)-2-oxo-1,2-dihydroquinazolin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
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
L878-0354
Molecular Formula
C23H26N4O3 (C23 H26 N4 O3)
Compound Name
2-[4-(cyclopentylamino)-2-oxo-1,2-dihydroquinazolin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
IUPAC name
2-[4-(cyclopentylamino)-2-oxo-12-dihydroquinazolin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILES
COc1cccc(CNC(CN(c(cccc2)c2C(NC2CCCC2)=N2)C2=O)=O)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
406.48
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.048
Distribution Coefficient, logD
3.026
Water Solubility, LogSw
-3.62
Polar Surface Area
67.283
Acid Dissociation Constant (pKa)
13.77
Base Dissociation Constant (pKb)
6.12
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
34.80
L878-0354 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
MCL1 Targeted Library (12200 compounds)
Protein Arginine Methyltransferases Library (27925 compounds)
Included in 1.7M Stock Database
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Hemic and lymphatic
- Metabolic
- Others
- Epigenetic
References: we are preparing a list of scientific research reports with L878-0354 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)