4199-0181 Screening compound: 1-(2-chlorobenzoyl)-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol

4199-0181 Screening compound: 1-(2-chlorobenzoyl)-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol
4199-0181 Screening compound: 1-(2-chlorobenzoyl)-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4199-0181
1-(2-chlorobenzoyl)-3-methyl-5-phenyl-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

4199-0181

Molecular Formula

C17H15ClN2O2 (C17 H15 ClN2 O2)

Compound Name

1-(2-chlorobenzoyl)-3-methyl-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-(2-chlorobenzoyl)-3-methyl-5-phenyl-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(CC1(c2ccccc2)O)=NN1C(c(cccc1)c1Cl)=O

InChI

InChI=1S/C17H15ClN2O2/c1-12-11-17(22,13-7-3-2-4-8-13)20(19-12)16(21)14-9-5-6-10-15(14)18/h2-10,22H,11H2,1H3/t17-/m0/s1

InChI Key

WEFAVDMFIBIUGY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01054923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.77

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

3.121

Distribution Coefficient, logD

3.121

Water Solubility, LogSw

-3.51

Polar Surface Area

42.691

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

4199-0181 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4199-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4199-0181?
Check Price and Availability of 4199-0181, 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 4199-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4199-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4199-0181
  • 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 4199-0181 available by request