S971-0033 Screening compound: 7-[3-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-methyl-7-azaspiro[3.5]nonan-1-ol
Chemical Structure Depiction of ChemDiv screening compound S971-0033
7-[3-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-methyl-7-azaspiro[3.5]nonan-1-ol
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
S971-0033
Molecular Formula
C19H22FN3O2 (C19 H22 FN3 O2)
Compound Name
7-[3-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-methyl-7-azaspiro[3.5]nonan-1-ol
IUPAC name
7-[3-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]-1-methyl-7-azaspiro[3.5]nonan-1-ol
SMILES
CC(CC1)(C1(CC1)CCN1C(c1c[nH]nc1-c(cc1)ccc1F)=O)O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
343.4
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
2.108
Distribution Coefficient, logD
2.108
Water Solubility, LogSw
-2.89
Polar Surface Area
56.653
Acid Dissociation Constant (pKa)
11.78
Base Dissociation Constant (pKb)
-0.11
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
47.37
S971-0033 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- 3D
- Mimetics
- PPI modulators
- PPI modulators
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with S971-0033 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)