G904-0035 Screening compound: 1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one

G904-0035 Screening compound: 1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one
G904-0035 Screening compound: 1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-3-methyl-4,5,6,7-tetrahydro-1H-indazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G904-0035
1-(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]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

G904-0035

Molecular Formula

C27H28N4O4 (C27 H28 N4 O4)

Compound Name

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

IUPAC name

1-(4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)-3-methyl-4567-tetrahydro-1H-indazol-4-one

SMILES

Cc(c1c2CCCC1=O)nn2-c(cc1)ccc1C(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O

InChI

InChI=1S/C27H28N4O4/c1-18-26-22(3-2-4-23(26)32)31(28-18)21-8-6-20(7-9-21)27(33)30-13-11-29(12-14-30)16-19-5-10-24-25(15-19)35-17-34-24/h5-10,15H,2-4,11-14,16-17H2,1H3

InChI Key

IIZLNKOVDFTGIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15074693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.338

Distribution Coefficient, logD

2.146

Water Solubility, LogSw

-2.86

Polar Surface Area

65.114

Acid Dissociation Constant (pKa)

19.36

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

G904-0035 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

MCL1 Targeted Library (12200 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G904-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G904-0035
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Delivery formats for G904-0035
  • 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 G904-0035 available by request