D023-0054 Screening compound: (2-chlorophenyl){3-[3-(3,4-dimethoxybenzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]piperidino}methanone
Chemical Structure Depiction of ChemDiv screening compound D023-0054
(2-chlorophenyl){3-[3-(3,4-dimethoxybenzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]piperidino}methanone
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
D023-0054
Molecular Formula
C25H25ClN6O4 (C25 H25 ClN6 O4)
Compound Name
(2-chlorophenyl){3-[3-(3,4-dimethoxybenzyl)-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl]piperidino}methanone
IUPAC name
5-[1-(2-chlorobenzoyl)piperidin-3-yl]-3-[(34-dimethoxyphenyl)methyl]-3H-[123]triazolo[45-d]pyrimidin-7-ol
SMILES
COc(ccc(Cn(c1nc(C(CCC2)CN2C(c(cccc2)c2Cl)=O)n2)nnc1c2O)c1)c1OC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
508.96
Hydrogen Bond Acceptors Count
9.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
7.00
Number of Nitrogen and Oxygen Atoms
10
Partition Coefficient, logP
2.391
Distribution Coefficient, logD
1.587
Water Solubility, LogSw
-3.12
Polar Surface Area
94.396
Acid Dissociation Constant (pKa)
6.67
Base Dissociation Constant (pKb)
0.28
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
32.00
D023-0054 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Antiviral Library (67538 compounds)
C-Met Library (15277 compounds)
Human Kinases Annotated Library (2415 compounds)
Human Proteases Annotated Library (2868 compounds)
PI3K-Targeted Library (17255 compounds)
Selective Target Activity Profiling Library (14702 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Antiviral
- Infections
- Immune system
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Endocrine
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- Cancer
- Digestive system
- Respiratory tract
- Nervous system
- Eye
- Cardiovascular
- Kinases
- Kinases
- GPCR
- Receptor's ligands
- Receptor's ligands
References: we are preparing a list of scientific research reports with D023-0054 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)