Y040-6547 Screening compound: 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid

Y040-6547 Screening compound: 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid
Y040-6547 Screening compound: 3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6547
3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid

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

Y040-6547

Molecular Formula

C16H11ClN2O2 (C16 H11 ClN2 O2)

Compound Name

3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid

IUPAC name

3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-5-carboxylic acid

SMILES

OC(c1cc(-c(cc2)ccc2Cl)nn1-c1ccccc1)=O

InChI

InChI=1S/C16H11ClN2O2/c17-12-8-6-11(7-9-12)14-10-15(16(20)21)19(18-14)13-4-2-1-3-5-13/h1-10H,(H,20,21)

InChI Key

YTECAJSUOLDFHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05150613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.73

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

3.930

Distribution Coefficient, logD

-1.111

Water Solubility, LogSw

-4.41

Polar Surface Area

41.470

Acid Dissociation Constant (pKa)

2.36

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y040-6547 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-6547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6547?
Check Price and Availability of Y040-6547, 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 Y040-6547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6547
  • 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 Y040-6547 available by request