T501-0626 Screening compound: 1-cyclopentanecarbonyl-3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine
Chemical Structure Depiction of ChemDiv screening compound T501-0626
1-cyclopentanecarbonyl-3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine
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
T501-0626
Molecular Formula
C18H28N4O (C18 H28 N4 O)
Compound Name
1-cyclopentanecarbonyl-3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine
IUPAC name
1-cyclopentanecarbonyl-3-{[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]methyl}piperidine
SMILES
O=C(C1CCCC1)N1CC(Cc2nncn2CC2CC2)CCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
316.45
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
6.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.441
Distribution Coefficient, logD
2.441
Water Solubility, LogSw
-2.26
Polar Surface Area
42.962
Acid Dissociation Constant (pKa)
21.08
Base Dissociation Constant (pKb)
2.84
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
83.33
T501-0626 in Drug Discovery
Included in Screening Libraries
CNS MPO Library (28609 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Nervous system
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with T501-0626 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)