P244-0156 Screening compound: 7-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-6-phenyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
Chemical Structure Depiction of ChemDiv screening compound P244-0156
7-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-6-phenyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
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
P244-0156
Molecular Formula
C25H30N4O2 (C25 H30 N4 O2)
Compound Name
7-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-6-phenyl-5H,6H,7H-pyrrolo[3,4-b]pyridin-5-one
IUPAC name
7-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-6-phenyl-5H6H7H-pyrrolo[34-b]pyridin-5-one
SMILES
O=C(CC(c(nccc1)c1C1=O)N1c1ccccc1)N(CC1)CCN1C1CCCCC1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
418.54
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.931
Distribution Coefficient, logD
2.633
Water Solubility, LogSw
-3.40
Polar Surface Area
44.753
Acid Dissociation Constant (pKa)
21.17
Base Dissociation Constant (pKb)
7.40
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
48.00
P244-0156 in Drug Discovery
Included in Screening Libraries
Anticancer Library (62698 compounds)
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
CNS BBB Library (22607 compounds)
Serine Proteases Inhibitors Library (32732 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- Proteases
References: we are preparing a list of scientific research reports with P244-0156 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)