8020-0125 Screening compound: 3-methyl-6-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-one

8020-0125 Screening compound: 3-methyl-6-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-one
8020-0125 Screening compound: 3-methyl-6-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0125
3-methyl-6-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

8020-0125

Molecular Formula

C14H14N2O (C14 H14 N2 O)

Compound Name

3-methyl-6-phenyl-4,5,6,7-tetrahydro-1H-indazol-4-one

IUPAC name

3-methyl-6-phenyl-4567-tetrahydro-1H-indazol-4-one

SMILES

Cc1n[nH]c(CC(C2)c3ccccc3)c1C2=O

InChI

InChI=1S/C14H14N2O/c1-9-14-12(16-15-9)7-11(8-13(14)17)10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,15,16)/t11-/m1/s1

InChI Key

YZTNVMBGBSOLFL-LLVKDONJSA-N

MDL Number (MFCD)

MFCD00474388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.28

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.544

Distribution Coefficient, logD

2.544

Water Solubility, LogSw

-2.73

Polar Surface Area

37.974

Acid Dissociation Constant (pKa)

4.46

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

8020-0125 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8020-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0125?
Check Price and Availability of 8020-0125, 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 8020-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0125
  • 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 8020-0125 available by request