G016-1094 Screening compound: 3-methyl-N-[2-(morpholin-4-yl)ethyl]-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

G016-1094 Screening compound: 3-methyl-N-[2-(morpholin-4-yl)ethyl]-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
G016-1094 Screening compound: 3-methyl-N-[2-(morpholin-4-yl)ethyl]-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G016-1094
3-methyl-N-[2-(morpholin-4-yl)ethyl]-2-oxo-8-(thiophene-2-sulfonyl)-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

G016-1094

Molecular Formula

C20H27N3O6S2 (C20 H27 N3 O6 S2)

Compound Name

3-methyl-N-[2-(morpholin-4-yl)ethyl]-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

IUPAC name

3-methyl-N-[2-(morpholin-4-yl)ethyl]-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

SMILES

CC(C(OC1(CC2)CCN2S(c2cccs2)(=O)=O)=O)=C1C(NCCN1CCOCC1)=O

InChI

InChI=1S/C20H27N3O6S2/c1-15-17(18(24)21-6-9-22-10-12-28-13-11-22)20(29-19(15)25)4-7-23(8-5-20)31(26,27)16-3-2-14-30-16/h2-3,14H,4-13H2,1H3,(H,21,24)

InChI Key

SSISIRSVMFHVFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.617

Distribution Coefficient, logD

0.299

Water Solubility, LogSw

-2.23

Polar Surface Area

89.747

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

G016-1094 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)

Anti-HIV1 Library (19540 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G016-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G016-1094?
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What is the minimum amount of G016-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G016-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G016-1094
  • 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 G016-1094 available by request