S953-0578 Screening compound: 8-[4-cyano-3-(trifluoromethyl)phenyl]-N-isopentyl-N,N-dimethyl-2,8-diazaspiro[4.5]decane-2,3-dicarboxamide

S953-0578 Screening compound: 8-[4-cyano-3-(trifluoromethyl)phenyl]-N-isopentyl-N,N-dimethyl-2,8-diazaspiro[4.5]decane-2,3-dicarboxamide
S953-0578 Screening compound: 8-[4-cyano-3-(trifluoromethyl)phenyl]-N-isopentyl-N,N-dimethyl-2,8-diazaspiro[4.5]decane-2,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S953-0578
8-[4-cyano-3-(trifluoromethyl)phenyl]-N-isopentyl-N,N-dimethyl-2,8-diazaspiro[4.5]decane-2,3-dicarboxamide

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

S953-0578

Molecular Formula

C25H34F3N5O2 (C25 H34 F3 N5 O2)

Compound Name

8-[4-cyano-3-(trifluoromethyl)phenyl]-N-isopentyl-N,N-dimethyl-2,8-diazaspiro[4.5]decane-2,3-dicarboxamide

IUPAC name

8-[4-cyano-3-(trifluoromethyl)phenyl]-N3N3-dimethyl-N2-(3-methylbutyl)-28-diazaspiro[4.5]decane-23-dicarboxamide

SMILES

CC(C)CCNC(N(CC(C1)(CC2)CCN2c(cc2)cc(C(F)(F)F)c2C#N)C1C(N(C)C)=O)=O

InChI

InChI=1S/C25H34F3N5O2/c1-17(2)7-10-30-23(35)33-16-24(14-21(33)22(34)31(3)4)8-11-32(12-9-24)19-6-5-18(15-29)20(13-19)25(26,27)28/h5-6,13,17,21H,7-12,14,16H2,1-4H3,(H,30,35)/t21-/m1/s1

InChI Key

CLRIWJOTMDGASQ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD32229965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.279

Distribution Coefficient, logD

3.279

Water Solubility, LogSw

-3.62

Polar Surface Area

63.374

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.00

S953-0578 in Drug Discovery

Included in Screening Libraries

Androgen Receptor Antagonists Library (4240 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Male
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S953-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S953-0578?
Check Price and Availability of S953-0578, 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 S953-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S953-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S953-0578
  • 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 S953-0578 available by request