K016-0004 Screening compound: 1-(3-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-one

K016-0004 Screening compound: 1-(3-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-one
K016-0004 Screening compound: 1-(3-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K016-0004
1-(3-chlorophenyl)-3-phenyl-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

K016-0004

Molecular Formula

C15H11ClN2O (C15 H11 ClN2 O)

Compound Name

1-(3-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-5-one

IUPAC name

1-(3-chlorophenyl)-3-phenyl-45-dihydro-1H-pyrazol-5-one

SMILES

O=C(C1)N(c2cccc(Cl)c2)N=C1c1ccccc1

InChI

InChI=1S/C15H11ClN2O/c16-12-7-4-8-13(9-12)18-15(19)10-14(17-18)11-5-2-1-3-6-11/h1-9H,10H2

InChI Key

KXZSBVDJUWCDEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.72

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

3.375

Distribution Coefficient, logD

-0.843

Water Solubility, LogSw

-3.63

Polar Surface Area

27.494

Acid Dissociation Constant (pKa)

3.18

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

K016-0004 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with K016-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K016-0004?
Check Price and Availability of K016-0004, 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 K016-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K016-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K016-0004
  • 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 K016-0004 available by request