C434-0221 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

C434-0221 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide
C434-0221 Screening compound: N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C434-0221
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

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

C434-0221

Molecular Formula

C24H24FN5O3 (C24 H24 FN5 O3)

Compound Name

N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

IUPAC name

N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-2-{4-oxo-1H4H-chromeno[43-c]pyrazol-1-yl}acetamide

SMILES

O=C(Cn1ncc2c1-c(cccc1)c1OC2=O)NCCN(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C24H24FN5O3/c25-19-6-2-3-7-20(19)29-13-11-28(12-14-29)10-9-26-22(31)16-30-23-17-5-1-4-8-21(17)33-24(32)18(23)15-27-30/h1-8,15H,9-14,16H2,(H,26,31)

InChI Key

YWISUPNJYDTXBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.208

Distribution Coefficient, logD

2.174

Water Solubility, LogSw

-2.97

Polar Surface Area

65.713

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C434-0221 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C434-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C434-0221?
Check Price and Availability of C434-0221, 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 C434-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C434-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C434-0221
  • 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 C434-0221 available by request