K784-5071 Screening compound: methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-cyclohexylbenzenesulfonamido}phenyl)acetate

K784-5071 Screening compound: methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-cyclohexylbenzenesulfonamido}phenyl)acetate
K784-5071 Screening compound: methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-cyclohexylbenzenesulfonamido}phenyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5071
methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-cyclohexylbenzenesulfonamido}phenyl)acetate

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

K784-5071

Molecular Formula

C28H30FNO4S (C28 H30 FNO4 S)

Compound Name

methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-cyclohexylbenzenesulfonamido}phenyl)acetate

IUPAC name

methyl 2-(4-{N-[(2-fluorophenyl)methyl]4-cyclohexylbenzenesulfonamido}phenyl)acetate

SMILES

COC(Cc(cc1)ccc1N(Cc(cccc1)c1F)S(c1ccc(C2CCCCC2)cc1)(=O)=O)=O

InChI

InChI=1S/C28H30FNO4S/c1-34-28(31)19-21-11-15-25(16-12-21)30(20-24-9-5-6-10-27(24)29)35(32,33)26-17-13-23(14-18-26)22-7-3-2-4-8-22/h5-6,9-18,22H,2-4,7-8,19-20H2,1H3

InChI Key

FWXZMJKYZIPGRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.716

Distribution Coefficient, logD

6.716

Water Solubility, LogSw

-5.58

Polar Surface Area

52.292

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

-11.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

K784-5071 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K784-5071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5071?
Check Price and Availability of K784-5071, 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 K784-5071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5071
  • 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 K784-5071 available by request