K780-1065 Screening compound: ETHYL 2-OXO-1-(PROP-2-EN-1-YL)-1,1',2,2',5',6',7',7A'-OCTAHYDROSPIRO[INDOLE-3,3'-PYRROLIZINE]-2'-CARBOXYLATE

K780-1065 Screening compound: ETHYL 2-OXO-1-(PROP-2-EN-1-YL)-1,1',2,2',5',6',7',7A'-OCTAHYDROSPIRO[INDOLE-3,3'-PYRROLIZINE]-2'-CARBOXYLATE
K780-1065 Screening compound: ETHYL 2-OXO-1-(PROP-2-EN-1-YL)-1,1',2,2',5',6',7',7A'-OCTAHYDROSPIRO[INDOLE-3,3'-PYRROLIZINE]-2'-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-1065
ETHYL 2-OXO-1-(PROP-2-EN-1-YL)-1,1',2,2',5',6',7',7A'-OCTAHYDROSPIRO[INDOLE-3,3'-PYRROLIZINE]-2'-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

K780-1065

Molecular Formula

C20H24N2O3 (C20 H24 N2 O3)

Compound Name

ETHYL 2-OXO-1-(PROP-2-EN-1-YL)-1,1',2,2',5',6',7',7A'-OCTAHYDROSPIRO[INDOLE-3,3'-PYRROLIZINE]-2'-CARBOXYLATE

IUPAC name

ethyl 2-oxo-1-(prop-2-en-1-yl)-11'22'5'6'7'7'a-octahydrospiro[indole-33'-pyrrolizine]-2'-carboxylate

SMILES

CCOC(C1C(c(cccc2)c2N2CC=C)(C2=O)N(CCC2)C2C1)=O

InChI

InChI=1S/C20H24N2O3/c1-3-11-21-17-10-6-5-9-15(17)20(19(21)24)16(18(23)25-4-2)13-14-8-7-12-22(14)20/h3,5-6,9-10,14,16H,1,4,7-8,11-13H2,2H3

InChI Key

JVWYETQZISRLNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14281063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-3.45

Polar Surface Area

40.006

Acid Dissociation Constant (pKa)

21.22

Base Dissociation Constant (pKb)

3.04

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

K780-1065 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Hsp90-Targeted Library (11355 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K780-1065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-1065?
Check Price and Availability of K780-1065, 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 K780-1065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-1065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-1065
  • 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 K780-1065 available by request