D439-3506 Screening compound: 2-methyl-N-(4-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide
Chemical Structure Depiction of ChemDiv screening compound D439-3506
2-methyl-N-(4-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide
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
D439-3506
Molecular Formula
C23H23N5O3 (C23 H23 N5 O3)
Compound Name
2-methyl-N-(4-{[7-oxo-1-(propan-2-yl)-1H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)benzamide
IUPAC name
2-methyl-N-(4-{[7-oxo-1-(propan-2-yl)-1H7H-[124]triazolo[15-a]pyrimidin-5-yl]methoxy}phenyl)benzamide
SMILES
CC(C)N(C=NC1=NC(COc(cc2)ccc2NC(c2c(C)cccc2)=O)=C2)N1C2=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
417.47
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.396
Distribution Coefficient, logD
2.053
Water Solubility, LogSw
-3.01
Polar Surface Area
72.767
Acid Dissociation Constant (pKa)
10.35
Base Dissociation Constant (pKb)
7.48
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
21.70
D439-3506 in Drug Discovery
Included in Screening Libraries
Included in 1.7M Stock Database
- Nervous system
References: we are preparing a list of scientific research reports with D439-3506 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)