P120-0474 Screening compound: N-[6-methyl-2-oxo-1-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-1,2-dihydropyridin-3-yl]butanamide
Chemical Structure Depiction of ChemDiv screening compound P120-0474
N-[6-methyl-2-oxo-1-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-1,2-dihydropyridin-3-yl]butanamide
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
P120-0474
Molecular Formula
C18H22N4O3 (C18 H22 N4 O3)
Compound Name
N-[6-methyl-2-oxo-1-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-1,2-dihydropyridin-3-yl]butanamide
IUPAC name
N-[6-methyl-2-oxo-1-({[(pyridin-4-yl)methyl]carbamoyl}methyl)-12-dihydropyridin-3-yl]butanamide
SMILES
CCCC(NC1=CC=C(C)N(CC(NCc2ccncc2)=O)C1=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
342.4
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
0.467
Distribution Coefficient, logD
0.456
Water Solubility, LogSw
-1.48
Polar Surface Area
73.439
Acid Dissociation Constant (pKa)
9.11
Base Dissociation Constant (pKb)
5.29
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
P120-0474 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with P120-0474 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)