8006-8055 Screening compound: 1-(2-bromobenzoyl)-5-(4-chlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol

8006-8055 Screening compound: 1-(2-bromobenzoyl)-5-(4-chlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
8006-8055 Screening compound: 1-(2-bromobenzoyl)-5-(4-chlorophenyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8055
1-(2-bromobenzoyl)-5-(4-chlorophenyl)-3-methyl-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

8006-8055

Molecular Formula

C17H14BrClN2O2 (C17 H14 BrClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1(c(cc2)ccc2Cl)O)=NN1C(c(cccc1)c1Br)=O

InChI

InChI=1S/C17H14BrClN2O2/c1-11-10-17(23,12-6-8-13(19)9-7-12)21(20-11)16(22)14-4-2-3-5-15(14)18/h2-9,23H,10H2,1H3/t17-/m0/s1

InChI Key

KQDVIDZQBFNXHR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00826683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.67

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

3.875

Distribution Coefficient, logD

3.875

Water Solubility, LogSw

-4.37

Polar Surface Area

42.691

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

8006-8055 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8006-8055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8055?
Check Price and Availability of 8006-8055, 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 8006-8055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8055
  • 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 8006-8055 available by request