G651-0828 Screening compound: ethyl 4-{[2-(3-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl}benzoate

G651-0828 Screening compound: ethyl 4-{[2-(3-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl}benzoate
G651-0828 Screening compound: ethyl 4-{[2-(3-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G651-0828
ethyl 4-{[2-(3-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl}benzoate

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

G651-0828

Molecular Formula

C22H22ClN3O5S (C22 H22 ClN3 O5 S)

Compound Name

ethyl 4-{[2-(3-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl}benzoate

IUPAC name

ethyl 4-{[2-(3-chlorophenyl)-3-oxo-148-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl}benzoate

SMILES

CCOC(c(cc1)ccc1S(N(CC1)CCC1(NC1=O)N=C1c1cccc(Cl)c1)(=O)=O)=O

InChI

InChI=1S/C22H22ClN3O5S/c1-2-31-21(28)15-6-8-18(9-7-15)32(29,30)26-12-10-22(11-13-26)24-19(20(27)25-22)16-4-3-5-17(23)14-16/h3-9,14H,2,10-13H2,1H3,(H,25,27)

InChI Key

ICLLFRJOXMJNNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27149538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.95

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

3.857

Distribution Coefficient, logD

3.817

Water Solubility, LogSw

-4.40

Polar Surface Area

86.054

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G651-0828 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G651-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G651-0828?
Check Price and Availability of G651-0828, 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 G651-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G651-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G651-0828
  • 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 G651-0828 available by request