G904-0015 Screening compound: 1-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}-3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one

G904-0015 Screening compound: 1-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}-3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one
G904-0015 Screening compound: 1-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}-3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G904-0015
1-{4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]phenyl}-3-methyl-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

G904-0015

Molecular Formula

C27H30N4O2 (C27 H30 N4 O2)

Compound Name

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

IUPAC name

1-{4-[4-(25-dimethylphenyl)piperazine-1-carbonyl]phenyl}-3-methyl-4567-tetrahydro-1H-indazol-4-one

SMILES

Cc(c1c2CCCC1=O)nn2-c(cc1)ccc1C(N(CC1)CCN1c1c(C)ccc(C)c1)=O

InChI

InChI=1S/C27H30N4O2/c1-18-7-8-19(2)24(17-18)29-13-15-30(16-14-29)27(33)21-9-11-22(12-10-21)31-23-5-4-6-25(32)26(23)20(3)28-31/h7-12,17H,4-6,13-16H2,1-3H3

InChI Key

LAFZNESZUFEBSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15074683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.943

Water Solubility, LogSw

-4.33

Polar Surface Area

47.417

Acid Dissociation Constant (pKa)

19.36

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

G904-0015 in Drug Discovery

Included in Screening Libraries

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 G904-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G904-0015?
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What is the minimum amount of G904-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G904-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G904-0015
  • 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 G904-0015 available by request