S953-5592 Screening compound: 2-[4-cyano-3-(trifluoromethyl)phenyl]-N,N,N,N-tetramethyl-2,8-diazaspiro[4.5]decane-3,8-dicarboxamide

S953-5592 Screening compound: 2-[4-cyano-3-(trifluoromethyl)phenyl]-N,N,N,N-tetramethyl-2,8-diazaspiro[4.5]decane-3,8-dicarboxamide
S953-5592 Screening compound: 2-[4-cyano-3-(trifluoromethyl)phenyl]-N,N,N,N-tetramethyl-2,8-diazaspiro[4.5]decane-3,8-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S953-5592
2-[4-cyano-3-(trifluoromethyl)phenyl]-N,N,N,N-tetramethyl-2,8-diazaspiro[4.5]decane-3,8-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

S953-5592

Molecular Formula

C22H28F3N5O2 (C22 H28 F3 N5 O2)

Compound Name

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

IUPAC name

2-[4-cyano-3-(trifluoromethyl)phenyl]-N3N3N8N8-tetramethyl-28-diazaspiro[4.5]decane-38-dicarboxamide

SMILES

CN(C)C(C(CC(C1)(CC2)CCN2C(N(C)C)=O)N1c(cc1)cc(C(F)(F)F)c1C#N)=O

InChI

InChI=1S/C22H28F3N5O2/c1-27(2)19(31)18-12-21(7-9-29(10-8-21)20(32)28(3)4)14-30(18)16-6-5-15(13-26)17(11-16)22(23,24)25/h5-6,11,18H,7-10,12,14H2,1-4H3/t18-/m0/s1

InChI Key

IWPKZFJBAPJXAC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32230231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.738

Distribution Coefficient, logD

1.738

Water Solubility, LogSw

-2.63

Polar Surface Area

54.276

Acid Dissociation Constant (pKa)

18.02

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

S953-5592 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 S953-5592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S953-5592?
Check Price and Availability of S953-5592, 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 S953-5592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S953-5592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S953-5592
  • 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 S953-5592 available by request