K784-4116 Screening compound: ethyl 4-({N-[(4-chlorophenyl)methyl]3-[(4-chlorophenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

K784-4116 Screening compound: ethyl 4-({N-[(4-chlorophenyl)methyl]3-[(4-chlorophenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate
K784-4116 Screening compound: ethyl 4-({N-[(4-chlorophenyl)methyl]3-[(4-chlorophenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4116
ethyl 4-({N-[(4-chlorophenyl)methyl]3-[(4-chlorophenyl)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

K784-4116

Molecular Formula

C30H31Cl2FN2O5S (C30 H31 Cl2 FN2 O5 S)

Compound Name

ethyl 4-({N-[(4-chlorophenyl)methyl]3-[(4-chlorophenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

IUPAC name

ethyl 4-({N-[(4-chlorophenyl)methyl]3-[(4-chlorophenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

SMILES

CCOC(C1CCC(CN(Cc(cc2)ccc2Cl)S(c(cc2)cc(C(Nc(cc3)ccc3Cl)=O)c2F)(=O)=O)CC1)=O

InChI

InChI=1S/C30H31Cl2FN2O5S/c1-2-40-30(37)22-7-3-20(4-8-22)18-35(19-21-5-9-23(31)10-6-21)41(38,39)26-15-16-28(33)27(17-26)29(36)34-25-13-11-24(32)12-14-25/h5-6,9-17,20,22H,2-4,7-8,18-19H2,1H3,(H,34,36)

InChI Key

PWPDXYNOBYGIQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

621.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.667

Distribution Coefficient, logD

7.526

Water Solubility, LogSw

-6.42

Polar Surface Area

75.379

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K784-4116 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-4116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4116?
Check Price and Availability of K784-4116, 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 K784-4116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4116
  • 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 K784-4116 available by request