K784-6561 Screening compound: ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(phenylcarbamoyl)amino]benzoate

K784-6561 Screening compound: ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(phenylcarbamoyl)amino]benzoate
K784-6561 Screening compound: ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(phenylcarbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6561
ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(phenylcarbamoyl)amino]benzoate

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

K784-6561

Molecular Formula

C26H27FN4O3 (C26 H27 FN4 O3)

Compound Name

ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(phenylcarbamoyl)amino]benzoate

IUPAC name

ethyl 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-[(phenylcarbamoyl)amino]benzoate

SMILES

CCOC(c(cc1)cc(NC(Nc2ccccc2)=O)c1N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C26H27FN4O3/c1-2-34-25(32)19-12-13-24(22(18-19)29-26(33)28-20-8-4-3-5-9-20)31-16-14-30(15-17-31)23-11-7-6-10-21(23)27/h3-13,18H,2,14-17H2,1H3,(H2,28,29,33)

InChI Key

FBMJBYSQGCSTTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.953

Distribution Coefficient, logD

5.952

Water Solubility, LogSw

-5.58

Polar Surface Area

58.708

Acid Dissociation Constant (pKa)

10.20

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K784-6561 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Endocrine
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with K784-6561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6561?
Check Price and Availability of K784-6561, 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 K784-6561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6561
  • 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 K784-6561 available by request