G016-0687 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-8-methanesulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

G016-0687 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-8-methanesulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
G016-0687 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-8-methanesulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G016-0687
N-{2-[bis(2-methylpropyl)amino]ethyl}-8-methanesulfonyl-3-methyl-2-oxo-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

G016-0687

Molecular Formula

C21H37N3O5S (C21 H37 N3 O5 S)

Compound Name

N-{2-[bis(2-methylpropyl)amino]ethyl}-8-methanesulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

IUPAC name

N-{2-[bis(2-methylpropyl)amino]ethyl}-8-methanesulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

SMILES

CC(C)CN(CCNC(C(C(CC1)(CCN1S(C)(=O)=O)O1)=C(C)C1=O)=O)CC(C)C

InChI

InChI=1S/C21H37N3O5S/c1-15(2)13-23(14-16(3)4)12-9-22-19(25)18-17(5)20(26)29-21(18)7-10-24(11-8-21)30(6,27)28/h15-16H,7-14H2,1-6H3,(H,22,25)

InChI Key

PFHOAKLRAQVMPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27208905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.104

Distribution Coefficient, logD

-0.565

Water Solubility, LogSw

-2.49

Polar Surface Area

80.835

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

81.00

G016-0687 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G016-0687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G016-0687?
Check Price and Availability of G016-0687, 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 G016-0687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G016-0687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G016-0687
  • 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 G016-0687 available by request