K784-4356 Screening compound: ethyl 4-({N-[(4-methoxyphenyl)methyl]3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

K784-4356 Screening compound: ethyl 4-({N-[(4-methoxyphenyl)methyl]3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate
K784-4356 Screening compound: ethyl 4-({N-[(4-methoxyphenyl)methyl]3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4356
ethyl 4-({N-[(4-methoxyphenyl)methyl]3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

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

K784-4356

Molecular Formula

C32H33ClF4N2O6S (C32 H33 ClF4 N2 O6 S)

Compound Name

ethyl 4-({N-[(4-methoxyphenyl)methyl]3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

IUPAC name

ethyl 4-({N-[(4-methoxyphenyl)methyl]3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

SMILES

CCOC(C1CCC(CN(Cc(cc2)ccc2OC)S(c(cc2)cc(C(Nc(cc(C(F)(F)F)cc3)c3Cl)=O)c2F)(=O)=O)CC1)=O

InChI

InChI=1S/C32H33ClF4N2O6S/c1-3-45-31(41)22-8-4-20(5-9-22)18-39(19-21-6-11-24(44-2)12-7-21)46(42,43)25-13-15-28(34)26(17-25)30(40)38-29-16-23(32(35,36)37)10-14-27(29)33/h6-7,10-17,20,22H,3-5,8-9,18-19H2,1-2H3,(H,38,40)

InChI Key

QURLINDGXXZECZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

685.14

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.883

Distribution Coefficient, logD

5.801

Water Solubility, LogSw

-6.54

Polar Surface Area

82.225

Acid Dissociation Constant (pKa)

5.32

Base Dissociation Constant (pKb)

-5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

K784-4356 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K784-4356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4356?
Check Price and Availability of K784-4356, 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 K784-4356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4356
  • 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 K784-4356 available by request