G904-0030 Screening compound: 3-methyl-1-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-4,5,6,7-tetrahydro-1H-indazol-4-one

G904-0030 Screening compound: 3-methyl-1-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-4,5,6,7-tetrahydro-1H-indazol-4-one
G904-0030 Screening compound: 3-methyl-1-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-4,5,6,7-tetrahydro-1H-indazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G904-0030
3-methyl-1-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-4,5,6,7-tetrahydro-1H-indazol-4-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

G904-0030

Molecular Formula

C24H25N5O2 (C24 H25 N5 O2)

Compound Name

3-methyl-1-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-4,5,6,7-tetrahydro-1H-indazol-4-one

IUPAC name

3-methyl-1-{4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-4567-tetrahydro-1H-indazol-4-one

SMILES

Cc(c1c2CCCC1=O)nn2-c(cc1)ccc1C(N(CC1)CCN1c1ncccc1)=O

InChI

InChI=1S/C24H25N5O2/c1-17-23-20(5-4-6-21(23)30)29(26-17)19-10-8-18(9-11-19)24(31)28-15-13-27(14-16-28)22-7-2-3-12-25-22/h2-3,7-12H,4-6,13-16H2,1H3

InChI Key

PEGLBLNBYQKAJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15074690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.453

Distribution Coefficient, logD

2.444

Water Solubility, LogSw

-2.47

Polar Surface Area

56.230

Acid Dissociation Constant (pKa)

19.36

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G904-0030 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)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 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 G904-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G904-0030?
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What is the minimum amount of G904-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G904-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G904-0030
  • 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 G904-0030 available by request