G610-0016 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3,4-dimethylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]acetamide

G610-0016 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3,4-dimethylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]acetamide
G610-0016 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3,4-dimethylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G610-0016
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3,4-dimethylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]acetamide

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

G610-0016

Molecular Formula

C25H28N4O4 (C25 H28 N4 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[2-(3,4-dimethylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[2-(34-dimethylphenyl)-3-oxo-148-triazaspiro[4.5]dec-1-en-8-yl]acetamide

SMILES

Cc(cc1)c(C)cc1C1=NC2(CCN(CC(NCc(cc3)cc4c3OCO4)=O)CC2)NC1=O

InChI

InChI=1S/C25H28N4O4/c1-16-3-5-19(11-17(16)2)23-24(31)28-25(27-23)7-9-29(10-8-25)14-22(30)26-13-18-4-6-20-21(12-18)33-15-32-20/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,26,30)(H,28,31)

InChI Key

OMCOHRWKDZSGKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15022860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.383

Distribution Coefficient, logD

3.203

Water Solubility, LogSw

-3.45

Polar Surface Area

78.909

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G610-0016 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G610-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G610-0016?
Check Price and Availability of G610-0016, 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 G610-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G610-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G610-0016
  • 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 G610-0016 available by request