G651-0399 Screening compound: 2-(3-chlorophenyl)-N-[3-(methylsulfanyl)phenyl]-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

G651-0399 Screening compound: 2-(3-chlorophenyl)-N-[3-(methylsulfanyl)phenyl]-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
G651-0399 Screening compound: 2-(3-chlorophenyl)-N-[3-(methylsulfanyl)phenyl]-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G651-0399
2-(3-chlorophenyl)-N-[3-(methylsulfanyl)phenyl]-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-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

G651-0399

Molecular Formula

C21H21ClN4O2S (C21 H21 ClN4 O2 S)

Compound Name

2-(3-chlorophenyl)-N-[3-(methylsulfanyl)phenyl]-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

IUPAC name

2-(3-chlorophenyl)-N-[3-(methylsulfanyl)phenyl]-3-oxo-148-triazaspiro[4.5]dec-1-ene-8-carboxamide

SMILES

CSc1cccc(NC(N(CC2)CCC2(NC2=O)N=C2c2cccc(Cl)c2)=O)c1

InChI

InChI=1S/C21H21ClN4O2S/c1-29-17-7-3-6-16(13-17)23-20(28)26-10-8-21(9-11-26)24-18(19(27)25-21)14-4-2-5-15(22)12-14/h2-7,12-13H,8-11H2,1H3,(H,23,28)(H,25,27)

InChI Key

VWYFYJDYSHTSDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27149329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.540

Distribution Coefficient, logD

3.500

Water Solubility, LogSw

-4.00

Polar Surface Area

59.058

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

G651-0399 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G651-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G651-0399?
Check Price and Availability of G651-0399, 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 G651-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G651-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G651-0399
  • 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 G651-0399 available by request