E616-0646 Screening compound: 8-acetyl-3-methyl-4-(morpholinocarbonyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one

E616-0646 Screening compound: 8-acetyl-3-methyl-4-(morpholinocarbonyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
E616-0646 Screening compound: 8-acetyl-3-methyl-4-(morpholinocarbonyl)-1-oxa-8-azaspiro[4.5]dec-3-en-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E616-0646
8-acetyl-3-methyl-4-(morpholinocarbonyl)-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

E616-0646

Molecular Formula

C16H22N2O5 (C16 H22 N2 O5)

Compound Name

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

IUPAC name

n/a

SMILES

CC(N(CC1)CCC1(C(C(N1CCOCC1)=O)=C1C)OC1=O)=O

InChI

InChI=1S/C16H22N2O5/c1-11-13(14(20)18-7-9-22-10-8-18)16(23-15(11)21)3-5-17(6-4-16)12(2)19/h3-10H2,1-2H3

InChI Key

YHSWDPWGTPPHGB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.320

Distribution Coefficient, logD

-0.320

Water Solubility, LogSw

0.25

Polar Surface Area

62.816

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.75

E616-0646 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E616-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E616-0646?
Check Price and Availability of E616-0646, 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 E616-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E616-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E616-0646
  • 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 E616-0646 available by request