R049-0025 Screening compound: 3-tert-butyl-4,5-dihydro-1H-pyrazol-5-one

R049-0025 Screening compound: 3-tert-butyl-4,5-dihydro-1H-pyrazol-5-one
R049-0025 Screening compound: 3-tert-butyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound R049-0025
3-tert-butyl-4,5-dihydro-1H-pyrazol-5-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

R049-0025

Molecular Formula

C7H12N2O (C7 H12 N2 O)

Compound Name

3-tert-butyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

3-tert-butyl-45-dihydro-1H-pyrazol-5-one

SMILES

CC(C)(C)C(C1)=NNC1=O

InChI

InChI=1S/C7H12N2O/c1-7(2,3)5-4-6(10)9-8-5/h4H2,1-3H3,(H,9,10)

InChI Key

VDNOHRWEOSDGQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00051760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

140.19

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

1.204

Distribution Coefficient, logD

1.052

Water Solubility, LogSw

-1.15

Polar Surface Area

38.013

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

R049-0025 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with R049-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R049-0025?
Check Price and Availability of R049-0025, 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 R049-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R049-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R049-0025
  • 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 R049-0025 available by request