T501-1236 Screening compound: 1-(4-chloro-1H-indazol-1-yl)-4-{3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-1,4-butanedione
Chemical Structure Depiction of ChemDiv screening compound T501-1236
1-(4-chloro-1H-indazol-1-yl)-4-{3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-1,4-butanedione
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
T501-1236
Molecular Formula
C22H27ClN6O2 (C22 H27 ClN6 O2)
Compound Name
1-(4-chloro-1H-indazol-1-yl)-4-{3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidino}-1,4-butanedione
IUPAC name
1-(4-chloro-1H-indazol-1-yl)-4-(3-{[4-(propan-2-yl)-4H-124-triazol-3-yl]methyl}piperidin-1-yl)butane-14-dione
SMILES
CC(C)n1c(CC(CCC2)CN2C(CCC(n(c2ccc3)ncc2c3Cl)=O)=O)nnc1
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
442.95
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
2.528
Distribution Coefficient, logD
2.528
Water Solubility, LogSw
-2.93
Polar Surface Area
68.925
Acid Dissociation Constant (pKa)
14.44
Base Dissociation Constant (pKb)
4.49
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
50.00
T501-1236 in Drug Discovery
Included in Screening Libraries
Antiviral Library (67538 compounds)
GPCR Targeted Library (31838 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
New Agro Library (44492 compounds)
Included in 1.7M Stock Database
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- GPCR
- Receptor's ligands
- PPI modulators
- PPI modulators
- Mimetics
- Cyclic compounds
- Agro
References: we are preparing a list of scientific research reports with T501-1236 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)