D245-0609 Screening compound: 1-[4-({2-[(4-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one
Chemical Structure Depiction of ChemDiv screening compound D245-0609
1-[4-({2-[(4-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-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
D245-0609
Molecular Formula
C21H18ClN5O (C21 H18 ClN5 O)
Compound Name
1-[4-({2-[(4-chlorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one
IUPAC name
1-[4-({2-[(4-chlorophenyl)methyl]-5-methyl-[124]triazolo[15-a]pyrimidin-7-yl}amino)phenyl]ethan-1-one
SMILES
CC(c(cc1)ccc1Nc1cc(C)nc2nc(Cc(cc3)ccc3Cl)nn12)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
391.86
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.018
Distribution Coefficient, logD
4.014
Water Solubility, LogSw
-4.39
Polar Surface Area
54.657
Acid Dissociation Constant (pKa)
14.49
Base Dissociation Constant (pKb)
5.36
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
14.30
D245-0609 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Angiogenesis library (14822 compounds)
Anticancer Library (62698 compounds)
Selective Target Activity Profiling Library (14702 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Cancer
- Cancer
References: we are preparing a list of scientific research reports with D245-0609 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)