E616-0802 Screening compound: 8-acetyl-4-[(4-cyclohexylpiperazino)carbonyl]-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

E616-0802 Screening compound: 8-acetyl-4-[(4-cyclohexylpiperazino)carbonyl]-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
E616-0802 Screening compound: 8-acetyl-4-[(4-cyclohexylpiperazino)carbonyl]-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E616-0802
8-acetyl-4-[(4-cyclohexylpiperazino)carbonyl]-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

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

E616-0802

Molecular Formula

C22H33N3O4 (C22 H33 N3 O4)

Compound Name

8-acetyl-4-[(4-cyclohexylpiperazino)carbonyl]-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

IUPAC name

8-acetyl-4-(4-cyclohexylpiperazine-1-carbonyl)-3-methyl-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

SMILES

CC(N(CC1)CCC1(C(C(N(CC1)CCN1C1CCCCC1)=O)=C1C)OC1=O)=O

InChI

InChI=1S/C22H33N3O4/c1-16-19(22(29-21(16)28)8-10-23(11-9-22)17(2)26)20(27)25-14-12-24(13-15-25)18-6-4-3-5-7-18/h18H,3-15H2,1-2H3

InChI Key

VTHWDXHXUBGUNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27600565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.496

Distribution Coefficient, logD

0.988

Water Solubility, LogSw

-1.51

Polar Surface Area

58.001

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

7.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

77.27

E616-0802 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E616-0802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E616-0802?
Check Price and Availability of E616-0802, 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 E616-0802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E616-0802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E616-0802
  • 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 E616-0802 available by request