G016-0704 Screening compound: 8-methanesulfonyl-3-methyl-2-oxo-N-{[4-(propan-2-yloxy)phenyl]methyl}-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

G016-0704 Screening compound: 8-methanesulfonyl-3-methyl-2-oxo-N-{[4-(propan-2-yloxy)phenyl]methyl}-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
G016-0704 Screening compound: 8-methanesulfonyl-3-methyl-2-oxo-N-{[4-(propan-2-yloxy)phenyl]methyl}-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G016-0704
8-methanesulfonyl-3-methyl-2-oxo-N-{[4-(propan-2-yloxy)phenyl]methyl}-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

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

G016-0704

Molecular Formula

C21H28N2O6S (C21 H28 N2 O6 S)

Compound Name

8-methanesulfonyl-3-methyl-2-oxo-N-{[4-(propan-2-yloxy)phenyl]methyl}-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

IUPAC name

8-methanesulfonyl-3-methyl-2-oxo-N-{[4-(propan-2-yloxy)phenyl]methyl}-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

SMILES

CC(C)Oc1ccc(CNC(C(C(CC2)(CCN2S(C)(=O)=O)O2)=C(C)C2=O)=O)cc1

InChI

InChI=1S/C21H28N2O6S/c1-14(2)28-17-7-5-16(6-8-17)13-22-19(24)18-15(3)20(25)29-21(18)9-11-23(12-10-21)30(4,26)27/h5-8,14H,9-13H2,1-4H3,(H,22,24)

InChI Key

JASNROFHCVZHPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.920

Distribution Coefficient, logD

1.920

Water Solubility, LogSw

-2.51

Polar Surface Area

83.563

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

G016-0704 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G016-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G016-0704?
Check Price and Availability of G016-0704, 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 G016-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G016-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G016-0704
  • 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 G016-0704 available by request