G904-0056 Screening compound: 4-(3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)-N-[(pyridin-3-yl)methyl]benzamide

G904-0056 Screening compound: 4-(3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)-N-[(pyridin-3-yl)methyl]benzamide
G904-0056 Screening compound: 4-(3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)-N-[(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G904-0056
4-(3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)-N-[(pyridin-3-yl)methyl]benzamide

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

G904-0056

Molecular Formula

C21H20N4O2 (C21 H20 N4 O2)

Compound Name

4-(3-methyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)-N-[(pyridin-3-yl)methyl]benzamide

IUPAC name

4-(3-methyl-4-oxo-4567-tetrahydro-1H-indazol-1-yl)-N-[(pyridin-3-yl)methyl]benzamide

SMILES

Cc(c1c2CCCC1=O)nn2-c(cc1)ccc1C(NCc1cnccc1)=O

InChI

InChI=1S/C21H20N4O2/c1-14-20-18(5-2-6-19(20)26)25(24-14)17-9-7-16(8-10-17)21(27)23-13-15-4-3-11-22-12-15/h3-4,7-12H,2,5-6,13H2,1H3,(H,23,27)

InChI Key

PGTAZSARAMMSOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15074697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.507

Distribution Coefficient, logD

1.507

Water Solubility, LogSw

-1.36

Polar Surface Area

61.741

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

G904-0056 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G904-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G904-0056?
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What is the minimum amount of G904-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G904-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G904-0056
  • 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 G904-0056 available by request