C883-0751 Screening compound: N-(2,4-DIFLUOROPHENYL)-1-[1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBONYL]PIPERIDINE-4-CARBOXAMIDE

C883-0751 Screening compound: N-(2,4-DIFLUOROPHENYL)-1-[1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBONYL]PIPERIDINE-4-CARBOXAMIDE
C883-0751 Screening compound: N-(2,4-DIFLUOROPHENYL)-1-[1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBONYL]PIPERIDINE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C883-0751
N-(2,4-DIFLUOROPHENYL)-1-[1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBONYL]PIPERIDINE-4-CARBOXAMIDE

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

C883-0751

Molecular Formula

C26H23F2N5O2 (C26 H23 F2 N5 O2)

Compound Name

N-(2,4-DIFLUOROPHENYL)-1-[1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBONYL]PIPERIDINE-4-CARBOXAMIDE

IUPAC name

N-(24-difluorophenyl)-1-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(c1c(-n2cccc2)n(-c2ccccc2)nc1)=O)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C26H23F2N5O2/c27-19-8-9-23(22(28)16-19)30-24(34)18-10-14-32(15-11-18)26(35)21-17-29-33(20-6-2-1-3-7-20)25(21)31-12-4-5-13-31/h1-9,12-13,16-18H,10-11,14-15H2,(H,30,34)

InChI Key

WTRNQRXXIFALFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.131

Distribution Coefficient, logD

4.089

Water Solubility, LogSw

-4.03

Polar Surface Area

56.137

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C883-0751 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

CNS targets activity set (6557 compounds)

SH2 Library (10483 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C883-0751 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C883-0751?
Check Price and Availability of C883-0751, 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 C883-0751 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C883-0751
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C883-0751
  • 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 C883-0751 available by request