2418-0628 Screening compound: 1-(4-chlorobenzoyl)-3,5,5-trimethyl-4,5-dihydro-1H-pyrazole

2418-0628 Screening compound: 1-(4-chlorobenzoyl)-3,5,5-trimethyl-4,5-dihydro-1H-pyrazole
2418-0628 Screening compound: 1-(4-chlorobenzoyl)-3,5,5-trimethyl-4,5-dihydro-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2418-0628
1-(4-chlorobenzoyl)-3,5,5-trimethyl-4,5-dihydro-1H-pyrazole

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

2418-0628

Molecular Formula

C13H15ClN2O (C13 H15 ClN2 O)

Compound Name

1-(4-chlorobenzoyl)-3,5,5-trimethyl-4,5-dihydro-1H-pyrazole

IUPAC name

1-(4-chlorobenzoyl)-355-trimethyl-45-dihydro-1H-pyrazole

SMILES

CC1(C)N(C(c(cc2)ccc2Cl)=O)N=C(C)C1

InChI

InChI=1S/C13H15ClN2O/c1-9-8-13(2,3)16(15-9)12(17)10-4-6-11(14)7-5-10/h4-7H,8H2,1-3H3

InChI Key

WTZQNZLRRHBXOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00682543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.73

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

3.003

Water Solubility, LogSw

-3.52

Polar Surface Area

26.256

Acid Dissociation Constant (pKa)

26.82

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

2418-0628 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 2418-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2418-0628?
Check Price and Availability of 2418-0628, 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 2418-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2418-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2418-0628
  • 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 2418-0628 available by request