K784-4088 Screening compound: (1R,2S,5R,7S)-3-allyl-N~2~-cyclohexyl-N~6~-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

K784-4088 Screening compound: (1R,2S,5R,7S)-3-allyl-N~2~-cyclohexyl-N~6~-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide
K784-4088 Screening compound: (1R,2S,5R,7S)-3-allyl-N~2~-cyclohexyl-N~6~-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4088
(1R,2S,5R,7S)-3-allyl-N~2~-cyclohexyl-N~6~-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

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

K784-4088

Molecular Formula

C26H31N3O4S (C26 H31 N3 O4 S)

Compound Name

(1R,2S,5R,7S)-3-allyl-N~2~-cyclohexyl-N~6~-[3-(methylsulfanyl)phenyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-2,6-dicarboxamide

IUPAC name

(5R7S)-N2-cyclohexyl-N6-[3-(methylsulfanyl)phenyl]-4-oxo-3-(prop-2-en-1-yl)-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-ene-26-dicarboxamide

SMILES

CSc1cc(NC(C([C@H]2C(N(CC=C)C3C(NC4CCCCC4)=O)=O)[C@H]4O[C@@]23C=C4)=O)ccc1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.504

Distribution Coefficient, logD

3.501

Water Solubility, LogSw

-3.95

Polar Surface Area

72.047

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

50.00

K784-4088 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Autophagy-Targeted Library (4564 compounds)

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K784-4088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4088?
Check Price and Availability of K784-4088, 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 K784-4088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4088
  • 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 K784-4088 available by request