G490-0556 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[2-(4-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]acetamide

G490-0556 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[2-(4-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]acetamide
G490-0556 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[2-(4-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G490-0556
N-(2H-1,3-benzodioxol-5-yl)-2-[2-(4-chlorophenyl)-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

G490-0556

Molecular Formula

C22H21ClN4O4 (C22 H21 ClN4 O4)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[2-(4-chlorophenyl)-3-oxo-148-triazaspiro[4.5]dec-1-en-8-yl]acetamide

SMILES

O=C(CN(CC1)CCC1(NC1=O)N=C1c(cc1)ccc1Cl)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H21ClN4O4/c23-15-3-1-14(2-4-15)20-21(29)26-22(25-20)7-9-27(10-8-22)12-19(28)24-16-5-6-17-18(11-16)31-13-30-17/h1-6,11H,7-10,12-13H2,(H,24,28)(H,26,29)

InChI Key

BTAJQGZJJSXXQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15014623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.187

Distribution Coefficient, logD

3.147

Water Solubility, LogSw

-3.71

Polar Surface Area

77.587

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G490-0556 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G490-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G490-0556?
Check Price and Availability of G490-0556, 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 G490-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G490-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G490-0556
  • 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 G490-0556 available by request