G016-1006 Screening compound: N-[(furan-2-yl)methyl]-3-methyl-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

G016-1006 Screening compound: N-[(furan-2-yl)methyl]-3-methyl-2-oxo-8-(thiophene-2-sulfonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
G016-1006 Screening compound: N-[(furan-2-yl)methyl]-3-methyl-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 G016-1006
N-[(furan-2-yl)methyl]-3-methyl-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

G016-1006

Molecular Formula

C19H20N2O6S2 (C19 H20 N2 O6 S2)

Compound Name

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

IUPAC name

N-[(furan-2-yl)methyl]-3-methyl-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(NCc1ccco1)=O

InChI

InChI=1S/C19H20N2O6S2/c1-13-16(17(22)20-12-14-4-2-10-26-14)19(27-18(13)23)6-8-21(9-7-19)29(24,25)15-5-3-11-28-15/h2-5,10-11H,6-9,12H2,1H3,(H,20,22)

InChI Key

UBMDWZJJHLIQOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14977083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.295

Distribution Coefficient, logD

2.295

Water Solubility, LogSw

-2.68

Polar Surface Area

85.763

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

G016-1006 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)

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:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G016-1006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G016-1006?
Check Price and Availability of G016-1006, 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 G016-1006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G016-1006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G016-1006
  • 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 G016-1006 available by request