D165-0375 Screening compound: 1-(2,3-dimethylphenyl)-4-{7-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl}piperazine
Chemical Structure Depiction of ChemDiv screening compound D165-0375
1-(2,3-dimethylphenyl)-4-{7-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl}piperazine
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
D165-0375
Molecular Formula
C20H26N6 (C20 H26 N6)
Compound Name
1-(2,3-dimethylphenyl)-4-{7-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl}piperazine
IUPAC name
1-(23-dimethylphenyl)-4-{7-propyl-[124]triazolo[43-a]pyrimidin-5-yl}piperazine
SMILES
CCCc1nc2nncn2c(N(CC2)CCN2c2c(C)c(C)ccc2)c1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
350.47
Hydrogen Bond Acceptors Count
3.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
4.365
Distribution Coefficient, logD
4.332
Water Solubility, LogSw
-4.38
Polar Surface Area
38.156
Acid Dissociation Constant (pKa)
23.26
Base Dissociation Constant (pKb)
6.30
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
45.00
D165-0375 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
References: we are preparing a list of scientific research reports with D165-0375 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)