P244-0582 Screening compound: 6-(3-methylphenyl)-7-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

P244-0582 Screening compound: 6-(3-methylphenyl)-7-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
P244-0582 Screening compound: 6-(3-methylphenyl)-7-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P244-0582
6-(3-methylphenyl)-7-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-6,7-dihydro-5H-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

P244-0582

Molecular Formula

C25H25N5O2 (C25 H25 N5 O2)

Compound Name

6-(3-methylphenyl)-7-{2-oxo-2-[4-(2-pyridyl)piperazino]ethyl}-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one

IUPAC name

6-(3-methylphenyl)-7-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-5H6H7H-pyrrolo[34-b]pyridin-5-one

SMILES

Cc1cccc(N(C(CC(N(CC2)CCN2c2ncccc2)=O)c2c3cccn2)C3=O)c1

InChI

InChI=1S/C25H25N5O2/c1-18-6-4-7-19(16-18)30-21(24-20(25(30)32)8-5-11-27-24)17-23(31)29-14-12-28(13-15-29)22-9-2-3-10-26-22/h2-11,16,21H,12-15,17H2,1H3/t21-/m1/s1

InChI Key

ZVTMVHJNPURYNF-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27570252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.212

Distribution Coefficient, logD

3.203

Water Solubility, LogSw

-3.37

Polar Surface Area

53.431

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

P244-0582 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with P244-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P244-0582?
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What is the minimum amount of P244-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P244-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P244-0582
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of P244-0582 available by request