S380-0583 Screening compound: 2-{8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-[2-(trifluoromethyl)phenyl]acetamide

S380-0583 Screening compound: 2-{8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-[2-(trifluoromethyl)phenyl]acetamide
S380-0583 Screening compound: 2-{8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S380-0583
2-{8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-[2-(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

S380-0583

Molecular Formula

C21H26F3N3O3 (C21 H26 F3 N3 O3)

Compound Name

2-{8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl}-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-{8-tert-butyl-24-dioxo-13-diazaspiro[4.5]decan-3-yl}-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

CC(C)(C)C(CC1)CCC1(C(N1CC(Nc2c(C(F)(F)F)cccc2)=O)=O)NC1=O

InChI

InChI=1S/C21H26F3N3O3/c1-19(2,3)13-8-10-20(11-9-13)17(29)27(18(30)26-20)12-16(28)25-15-7-5-4-6-14(15)21(22,23)24/h4-7,13H,8-12H2,1-3H3,(H,25,28)(H,26,30)

InChI Key

PLELIZADLGTNNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.45

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

4.330

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.31

Polar Surface Area

64.289

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

S380-0583 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 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
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S380-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S380-0583?
Check Price and Availability of S380-0583, 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 S380-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S380-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S380-0583
  • 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 S380-0583 available by request