K784-3233 Screening compound: ethyl 4-{(1S,2R,5S,7R)-2-[(cyclohexylamino)carbonyl]-6-[(3,4-dichloroanilino)carbonyl]-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-en-3-yl}tetrahydro-1(2H)-pyridinecarboxylate

K784-3233 Screening compound: ethyl 4-{(1S,2R,5S,7R)-2-[(cyclohexylamino)carbonyl]-6-[(3,4-dichloroanilino)carbonyl]-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-en-3-yl}tetrahydro-1(2H)-pyridinecarboxylate
K784-3233 Screening compound: ethyl 4-{(1S,2R,5S,7R)-2-[(cyclohexylamino)carbonyl]-6-[(3,4-dichloroanilino)carbonyl]-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-en-3-yl}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-3233
ethyl 4-{(1S,2R,5S,7R)-2-[(cyclohexylamino)carbonyl]-6-[(3,4-dichloroanilino)carbonyl]-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-en-3-yl}tetrahydro-1(2H)-pyridinecarboxylate

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

K784-3233

Molecular Formula

C31H38Cl2N4O6 (C31 H38 Cl2 N4 O6)

Compound Name

ethyl 4-{(1S,2R,5S,7R)-2-[(cyclohexylamino)carbonyl]-6-[(3,4-dichloroanilino)carbonyl]-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-en-3-yl}tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

ethyl 4-[(5S7R)-2-(cyclohexylcarbamoyl)-6-[(34-dichlorophenyl)carbamoyl]-7-methyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0^{15}]dec-8-en-3-yl]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1N(C([C@]1([C@H]2C3C(Nc(cc4)cc(Cl)c4Cl)=O)O[C@@]3(C)C=C1)C(NC1CCCCC1)=O)C2=O)=O

InChI

InChI=1S/C31H38Cl2N4O6/c1-3-42-29(41)36-15-11-20(12-16-36)37-25(27(39)34-18-7-5-4-6-8-18)31-14-13-30(2,43-31)23(24(31)28(37)40)26(38)35-19-9-10-21(32)22(33)17-19/h9-10,13-14,17-18,20,23-25H,3-8,11-12,15-16H2,1-2H3,(H,34,39)(H,35,38)/t23?,24-,25?,30-,31-/m0/s1

InChI Key

LKZVPGWFHOORHA-IIAXVXCVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

633.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.317

Distribution Coefficient, logD

3.863

Water Solubility, LogSw

-5.85

Polar Surface Area

93.096

Acid Dissociation Constant (pKa)

5.96

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

61.30

K784-3233 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K784-3233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-3233?
Check Price and Availability of K784-3233, 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 K784-3233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-3233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-3233
  • 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 K784-3233 available by request