J063-0120 Screening compound: 7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one

J063-0120 Screening compound: 7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one
J063-0120 Screening compound: 7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J063-0120
7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-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

J063-0120

Molecular Formula

C17H25N3O (C17 H25 N3 O)

Compound Name

7,7,9-trimethyl-2-(3-methylphenyl)-1,2,4-triazaspiro[4.5]decan-3-one

IUPAC name

779-trimethyl-2-(3-methylphenyl)-124-triazaspiro[4.5]decan-3-one

SMILES

CC(C1)CC(C)(C)CC1(NC1=O)NN1c1cc(C)ccc1

InChI

InChI=1S/C17H25N3O/c1-12-6-5-7-14(8-12)20-15(21)18-17(19-20)10-13(2)9-16(3,4)11-17/h5-8,13,19H,9-11H2,1-4H3,(H,18,21)

InChI Key

PKLNXHPADQTPDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15079879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.294

Distribution Coefficient, logD

4.294

Water Solubility, LogSw

-4.33

Polar Surface Area

41.055

Acid Dissociation Constant (pKa)

14.65

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.80

J063-0120 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J063-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J063-0120?
Check Price and Availability of J063-0120, 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 J063-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J063-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J063-0120
  • 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 J063-0120 available by request