7752-0196 Screening compound: 1-(4,6-dimethylpyrimidin-2-yl)-6-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-4-one

7752-0196 Screening compound: 1-(4,6-dimethylpyrimidin-2-yl)-6-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-4-one
7752-0196 Screening compound: 1-(4,6-dimethylpyrimidin-2-yl)-6-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7752-0196
1-(4,6-dimethylpyrimidin-2-yl)-6-[4-(propan-2-yl)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

7752-0196

Molecular Formula

C22H24N4O (C22 H24 N4 O)

Compound Name

1-(4,6-dimethylpyrimidin-2-yl)-6-[4-(propan-2-yl)phenyl]-4,5,6,7-tetrahydro-1H-indazol-4-one

IUPAC name

1-(46-dimethylpyrimidin-2-yl)-6-[4-(propan-2-yl)phenyl]-4567-tetrahydro-1H-indazol-4-one

SMILES

CC(C)c1ccc(C(Cc2c3cnn2-c2nc(C)cc(C)n2)CC3=O)cc1

InChI

InChI=1S/C22H24N4O/c1-13(2)16-5-7-17(8-6-16)18-10-20-19(21(27)11-18)12-23-26(20)22-24-14(3)9-15(4)25-22/h5-9,12-13,18H,10-11H2,1-4H3/t18-/m1/s1

InChI Key

LQWMNTXXECCJFP-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06600149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.739

Distribution Coefficient, logD

4.739

Water Solubility, LogSw

-4.41

Polar Surface Area

44.296

Acid Dissociation Constant (pKa)

16.49

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

7752-0196 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7752-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7752-0196?
Check Price and Availability of 7752-0196, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7752-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7752-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7752-0196
  • 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 7752-0196 available by request