D297-0025 Screening compound: 1-(3-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-cyclopentylethan-1-one
Chemical Structure Depiction of ChemDiv screening compound D297-0025
1-(3-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-cyclopentylethan-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
D297-0025
Molecular Formula
C23H27ClN6O2 (C23 H27 ClN6 O2)
Compound Name
1-(3-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidin-1-yl)-2-cyclopentylethan-1-one
IUPAC name
1-(3-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[123]triazolo[45-d]pyrimidin-5-yl}piperidin-1-yl)-2-cyclopentylethan-1-one
SMILES
Oc1c2nnn(Cc3cccc(Cl)c3)c2nc(C(CCC2)CN2C(CC2CCCC2)=O)n1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
454.96
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.439
Distribution Coefficient, logD
2.635
Water Solubility, LogSw
-3.58
Polar Surface Area
79.166
Acid Dissociation Constant (pKa)
6.67
Base Dissociation Constant (pKb)
1.67
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
52.20
D297-0025 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
C-Met Library (15277 compounds)
PI3K-Targeted Library (17255 compounds)
Protein-Protein Interaction Library (218420 compounds)
Targeted Diversity Library (40567 compounds)
Adenosine Receptors Targeted Library (19896 compounds)
Anti-HIV1 Library (19540 compounds)
Chemokine Receptor-Targeted Library (18382 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- 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
- Antiviral
- Infections
- Immune system
- Immune system
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Kinases
- Kinases
- GPCR
- Phosphatases
- Receptor's ligands
- PPI modulators
- Receptor's ligands
- Receptor's ligands
References: we are preparing a list of scientific research reports with D297-0025 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)