7213-0114 Screening compound: 1-[5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-2-methylpiperidine
Chemical Structure Depiction of ChemDiv screening compound 7213-0114
1-[5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-2-methylpiperidine
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
7213-0114
Molecular Formula
C21H25F3N4O2 (C21 H25 F3 N4 O2)
Compound Name
1-[5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carbonyl]-2-methylpiperidine
IUPAC name
1-[(5R7S)-5-(3-methoxyphenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carbonyl]-2-methylpiperidine
SMILES
CC(CCCC1)N1C(c1c(N[C@@H](C[C@@H]2C(F)(F)F)c3cc(OC)ccc3)n2nc1)=O
InChI Key
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
422.45
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.898
Distribution Coefficient, logD
3.898
Water Solubility, LogSw
-3.87
Polar Surface Area
48.991
Acid Dissociation Constant (pKa)
16.23
Base Dissociation Constant (pKb)
-0.56
Number of Chiral Centers
3.00
Percent sp3 carbon bonding
52.40
7213-0114 in Drug Discovery
Included in Screening Libraries
3D Mimetics PPI Library (1617 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Protein-Protein Interaction Library (218420 compounds)
Epigenetics Focused Set (26518 compounds)
Inhibitors of beta-Catenin Signaling (7445 compounds)
MCE-18 Trends in Medicinal Chemistry (51288 compounds)
Included in 1.7M Stock Database
- Mimetics
- 3D
- PPI modulators
References: we are preparing a list of scientific research reports with 7213-0114 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)