G610-0054 Screening compound: 2-[2-(3-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

G610-0054 Screening compound: 2-[2-(3-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
G610-0054 Screening compound: 2-[2-(3-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G610-0054
2-[2-(3-chlorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]-N-[3-(trifluoromethyl)phenyl]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

G610-0054

Molecular Formula

C22H20ClF3N4O2 (C22 H20 ClF3 N4 O2)

Compound Name

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

IUPAC name

2-[2-(3-chlorophenyl)-3-oxo-148-triazaspiro[4.5]dec-1-en-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(CN(CC1)CCC1(NC1=O)N=C1c1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C22H20ClF3N4O2/c23-16-5-1-3-14(11-16)19-20(32)29-21(28-19)7-9-30(10-8-21)13-18(31)27-17-6-2-4-15(12-17)22(24,25)26/h1-6,11-12H,7-10,13H2,(H,27,31)(H,29,32)

InChI Key

SFXDUFVNXIVPBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27146210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.87

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

4.537

Water Solubility, LogSw

-4.72

Polar Surface Area

60.471

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

G610-0054 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G610-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G610-0054?
Check Price and Availability of G610-0054, 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 G610-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G610-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G610-0054
  • 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 G610-0054 available by request