S953-0321 Screening compound: 8-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-2-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

S953-0321 Screening compound: 8-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-2-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
S953-0321 Screening compound: 8-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-2-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S953-0321
8-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-2-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,8-diazaspiro[4.5]decane-3-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

S953-0321

Molecular Formula

C23H25F3N6O2 (C23 H25 F3 N6 O2)

Compound Name

8-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-2-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

IUPAC name

8-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-2-(1-methyl-1H-pyrazole-3-carbonyl)-28-diazaspiro[4.5]decane-3-carboxamide

SMILES

CNC(C(CC(C1)(CC2)CCN2c(cc2)cc(C(F)(F)F)c2C#N)N1C(c1nn(C)cc1)=O)=O

InChI

InChI=1S/C23H25F3N6O2/c1-28-20(33)19-12-22(14-32(19)21(34)18-5-8-30(2)29-18)6-9-31(10-7-22)16-4-3-15(13-27)17(11-16)23(24,25)26/h3-5,8,11,19H,6-7,9-10,12,14H2,1-2H3,(H,28,33)/t19-/m1/s1

InChI Key

USQKTHQOHYIJON-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32229958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.082

Distribution Coefficient, logD

1.082

Water Solubility, LogSw

-2.42

Polar Surface Area

76.645

Acid Dissociation Constant (pKa)

14.93

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.83

S953-0321 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 S953-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S953-0321?
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What is the minimum amount of S953-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S953-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S953-0321
  • 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 S953-0321 available by request