5586-0886 Screening compound: ethyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate

5586-0886 Screening compound: ethyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate
5586-0886 Screening compound: ethyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5586-0886
ethyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate

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

5586-0886

Molecular Formula

C18H15ClN2O2 (C18 H15 ClN2 O2)

Compound Name

ethyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate

IUPAC name

ethyl 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carboxylate

SMILES

CCOC(c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H15ClN2O2/c1-2-23-18(22)16-12-21(15-6-4-3-5-7-15)20-17(16)13-8-10-14(19)11-9-13/h3-12H,2H2,1H3

InChI Key

AWMBSUJUMXNJPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02720337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.731

Distribution Coefficient, logD

4.731

Water Solubility, LogSw

-4.91

Polar Surface Area

35.625

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5586-0886 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5586-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5586-0886?
Check Price and Availability of 5586-0886, 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 5586-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5586-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5586-0886
  • 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 5586-0886 available by request