8006-8320 Screening compound: 5-(4-chlorophenyl)-3-methyl-1-(2-methylbenzoyl)-4,5-dihydro-1H-pyrazol-5-ol

8006-8320 Screening compound: 5-(4-chlorophenyl)-3-methyl-1-(2-methylbenzoyl)-4,5-dihydro-1H-pyrazol-5-ol
8006-8320 Screening compound: 5-(4-chlorophenyl)-3-methyl-1-(2-methylbenzoyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8320
5-(4-chlorophenyl)-3-methyl-1-(2-methylbenzoyl)-4,5-dihydro-1H-pyrazol-5-ol

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

8006-8320

Molecular Formula

C18H17ClN2O2 (C18 H17 ClN2 O2)

Compound Name

5-(4-chlorophenyl)-3-methyl-1-(2-methylbenzoyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

5-(4-chlorophenyl)-3-methyl-1-(2-methylbenzoyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(CC1(c(cc2)ccc2Cl)O)=NN1C(c1c(C)cccc1)=O

InChI

InChI=1S/C18H17ClN2O2/c1-12-5-3-4-6-16(12)17(22)21-18(23,11-13(2)20-21)14-7-9-15(19)10-8-14/h3-10,23H,11H2,1-2H3/t18-/m0/s1

InChI Key

UACMOMUELXZGGL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00826845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.798

Distribution Coefficient, logD

3.798

Water Solubility, LogSw

-4.34

Polar Surface Area

42.691

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8006-8320 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8006-8320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8320?
Check Price and Availability of 8006-8320, 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 8006-8320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8320
  • 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 8006-8320 available by request