M047-0895 Screening compound: 2-{1,3-dimethyl-7-oxo-1H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl}-N-{[4-(morpholin-4-yl)phenyl]methyl}acetamide

M047-0895 Screening compound: 2-{1,3-dimethyl-7-oxo-1H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl}-N-{[4-(morpholin-4-yl)phenyl]methyl}acetamide
M047-0895 Screening compound: 2-{1,3-dimethyl-7-oxo-1H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl}-N-{[4-(morpholin-4-yl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M047-0895
2-{1,3-dimethyl-7-oxo-1H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl}-N-{[4-(morpholin-4-yl)phenyl]methyl}acetamide

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

M047-0895

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

2-{1,3-dimethyl-7-oxo-1H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl}-N-{[4-(morpholin-4-yl)phenyl]methyl}acetamide

IUPAC name

2-{13-dimethyl-7-oxo-1H6H7H-pyrazolo[34-c]pyridin-6-yl}-N-{[4-(morpholin-4-yl)phenyl]methyl}acetamide

SMILES

Cc1nn(C)c2c1C=CN(CC(NCc(cc1)ccc1N1CCOCC1)=O)C2=O

InChI

InChI=1S/C21H25N5O3/c1-15-18-7-8-26(21(28)20(18)24(2)23-15)14-19(27)22-13-16-3-5-17(6-4-16)25-9-11-29-12-10-25/h3-8H,9-14H2,1-2H3,(H,22,27)

InChI Key

POWDWIOJHSKIMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.111

Distribution Coefficient, logD

0.110

Water Solubility, LogSw

-1.71

Polar Surface Area

65.994

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

M047-0895 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M047-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M047-0895?
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What is the minimum amount of M047-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M047-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M047-0895
  • 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 M047-0895 available by request