P801-0350 Screening compound: 1-{4-[4-(4-methylphenyl)piperazine-1-carbonyl]pyridin-2-yl}-3-phenylpiperazine
Chemical Structure Depiction of ChemDiv screening compound P801-0350
1-{4-[4-(4-methylphenyl)piperazine-1-carbonyl]pyridin-2-yl}-3-phenylpiperazine
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
P801-0350
Molecular Formula
C27H31N5O (C27 H31 N5 O)
Compound Name
1-{4-[4-(4-methylphenyl)piperazine-1-carbonyl]pyridin-2-yl}-3-phenylpiperazine
IUPAC name
1-{4-[4-(4-methylphenyl)piperazine-1-carbonyl]pyridin-2-yl}-3-phenylpiperazine
SMILES
Cc(cc1)ccc1N(CC1)CCN1C(c1cc(N2CC(c3ccccc3)NCC2)ncc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
441.58
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
3.414
Distribution Coefficient, logD
2.866
Water Solubility, LogSw
-3.55
Polar Surface Area
43.885
Acid Dissociation Constant (pKa)
23.51
Base Dissociation Constant (pKb)
7.80
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
33.30
P801-0350 in Drug Discovery
Included in Screening Libraries
3D-Diversity Natural-Product-Like Library (18102 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- 3D
- Cyclic compounds
- PPI modulators
References: we are preparing a list of scientific research reports with P801-0350 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)