P804-0956 Screening compound: 1-(3,4-diethoxybenzoyl)-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperazine
Chemical Structure Depiction of ChemDiv screening compound P804-0956
1-(3,4-diethoxybenzoyl)-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperazine
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
P804-0956
Molecular Formula
C24H27FN4O3 (C24 H27 FN4 O3)
Compound Name
1-(3,4-diethoxybenzoyl)-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperazine
IUPAC name
1-(34-diethoxybenzoyl)-4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperazine
SMILES
CCOc(ccc(C(N(CC1)CCN1c1cc(-c(cc2)ccc2F)n[nH]1)=O)c1)c1OCC
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
438.5
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
8.00
Number of Nitrogen and Oxygen Atoms
7
Partition Coefficient, logP
3.436
Distribution Coefficient, logD
3.436
Water Solubility, LogSw
-3.59
Polar Surface Area
56.521
Acid Dissociation Constant (pKa)
15.28
Base Dissociation Constant (pKb)
-0.59
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
33.30
P804-0956 in Drug Discovery
Included in Screening Libraries
Bcl2-PPI Inhibitors Library (12246 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Ligand-Gated Ion Channels Library (3887 compounds)
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
MDM2-p53 interaction inhibitors Library (21687 compounds)
Included in 1.7M Stock Database
- Cancer
- Hemic and lymphatic
- Nervous system
- Eye
- Cancer
- PPI modulators
- PPI modulators
- PPI modulators
- PPI modulators
- Ion Channels
- Mimetics
- Cyclic compounds
References: we are preparing a list of scientific research reports with P804-0956 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)