4711-0026 Screening compound: 2'-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]-[1,1'-biphenyl]-2-carboxylic acid

4711-0026 Screening compound: 2'-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]-[1,1'-biphenyl]-2-carboxylic acid
4711-0026 Screening compound: 2'-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]-[1,1'-biphenyl]-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4711-0026
2'-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]-[1,1'-biphenyl]-2-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

4711-0026

Molecular Formula

C25H21N3O4 (C25 H21 N3 O4)

Compound Name

2'-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]-[1,1'-biphenyl]-2-carboxylic acid

IUPAC name

2'-[(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)carbamoyl]-[11'-biphenyl]-2-carboxylic acid

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(c(cccc1)c1-c(cccc1)c1C(O)=O)=O

InChI

InChI=1S/C25H21N3O4/c1-16-22(24(30)28(27(16)2)17-10-4-3-5-11-17)26-23(29)20-14-8-6-12-18(20)19-13-7-9-15-21(19)25(31)32/h3-15H,1-2H3,(H,26,29)(H,31,32)

InChI Key

GDRRXNWIFUIMIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01081116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.014

Distribution Coefficient, logD

-0.965

Water Solubility, LogSw

-2.65

Polar Surface Area

71.847

Acid Dissociation Constant (pKa)

4.42

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

4711-0026 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4711-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4711-0026?
Check Price and Availability of 4711-0026, 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 4711-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4711-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4711-0026
  • 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 4711-0026 available by request