3338-1152 Screening compound: 3-[(E)-[(2-hydroxyethyl)imino]methyl]-9-methyl-2-(methylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
Chemical Structure Depiction of ChemDiv screening compound 3338-1152
3-[(E)-[(2-hydroxyethyl)imino]methyl]-9-methyl-2-(methylamino)-4H-pyrido[1,2-a]pyrimidin-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
3338-1152
Molecular Formula
C13H16N4O2 (C13 H16 N4 O2)
Compound Name
3-[(E)-[(2-hydroxyethyl)imino]methyl]-9-methyl-2-(methylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
IUPAC name
3-[(E)-[(2-hydroxyethyl)imino]methyl]-9-methyl-2-(methylamino)-4H-pyrido[12-a]pyrimidin-4-one
SMILES
CC(C1=NC(NC)=C2/C=N/CCO)=CC=CN1C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
260.3
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
-0.205
Distribution Coefficient, logD
-0.223
Water Solubility, LogSw
-0.55
Polar Surface Area
59.855
Acid Dissociation Constant (pKa)
10.56
Base Dissociation Constant (pKb)
6.01
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
30.80
References: we are preparing a list of scientific research reports with 3338-1152 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)