K784-4238 Screening compound: ethyl 4-({N-[(3-bromophenyl)methyl]3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

K784-4238 Screening compound: ethyl 4-({N-[(3-bromophenyl)methyl]3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate
K784-4238 Screening compound: ethyl 4-({N-[(3-bromophenyl)methyl]3-{[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl}-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4238
ethyl 4-({N-[(3-bromophenyl)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

K784-4238

Molecular Formula

C31H30BrClF4N2O5S (C31 H30 BrClF4 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C1CCC(CN(Cc2cccc(Br)c2)S(c(cc2)cc(C(Nc(cc(C(F)(F)F)cc3)c3Cl)=O)c2F)(=O)=O)CC1)=O

InChI

InChI=1S/C31H30BrClF4N2O5S/c1-2-44-30(41)21-8-6-19(7-9-21)17-39(18-20-4-3-5-23(32)14-20)45(42,43)24-11-13-27(34)25(16-24)29(40)38-28-15-22(31(35,36)37)10-12-26(28)33/h3-5,10-16,19,21H,2,6-9,17-18H2,1H3,(H,38,40)

InChI Key

SRMFWOPIOCXHDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

734.01

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

8.612

Distribution Coefficient, logD

6.530

Water Solubility, LogSw

-6.47

Polar Surface Area

74.682

Acid Dissociation Constant (pKa)

5.32

Base Dissociation Constant (pKb)

-5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.50

K784-4238 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 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

References: we are preparing a list of scientific research reports with K784-4238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4238?
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What is the minimum amount of K784-4238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4238
  • 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 K784-4238 available by request