K784-5774 Screening compound: 2-({benzyl[(2-fluorophenyl)methyl]carbamothioyl}amino)-N-[2-(4-chlorophenyl)ethyl]acetamide

K784-5774 Screening compound: 2-({benzyl[(2-fluorophenyl)methyl]carbamothioyl}amino)-N-[2-(4-chlorophenyl)ethyl]acetamide
K784-5774 Screening compound: 2-({benzyl[(2-fluorophenyl)methyl]carbamothioyl}amino)-N-[2-(4-chlorophenyl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5774
2-({benzyl[(2-fluorophenyl)methyl]carbamothioyl}amino)-N-[2-(4-chlorophenyl)ethyl]acetamide

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

K784-5774

Molecular Formula

C25H25ClFN3OS (C25 H25 ClFN3 OS)

Compound Name

2-({benzyl[(2-fluorophenyl)methyl]carbamothioyl}amino)-N-[2-(4-chlorophenyl)ethyl]acetamide

IUPAC name

2-({benzyl[(2-fluorophenyl)methyl]carbamothioyl}amino)-N-[2-(4-chlorophenyl)ethyl]acetamide

SMILES

O=C(CNC(N(Cc1ccccc1)Cc(cccc1)c1F)=S)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C25H25ClFN3OS/c26-22-12-10-19(11-13-22)14-15-28-24(31)16-29-25(32)30(17-20-6-2-1-3-7-20)18-21-8-4-5-9-23(21)27/h1-13H,14-18H2,(H,28,31)(H,29,32)

InChI Key

JQLQKFSSOLSGNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15098257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.227

Distribution Coefficient, logD

5.227

Water Solubility, LogSw

-5.77

Polar Surface Area

36.063

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K784-5774 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-5774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5774?
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What is the minimum amount of K784-5774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5774
  • 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 K784-5774 available by request