E972-0229 Screening compound: 2-phenyl-3-(propylsulfanyl)-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

E972-0229 Screening compound: 2-phenyl-3-(propylsulfanyl)-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
E972-0229 Screening compound: 2-phenyl-3-(propylsulfanyl)-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E972-0229
2-phenyl-3-(propylsulfanyl)-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-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

E972-0229

Molecular Formula

C24H25F3N4OS (C24 H25 F3 N4 OS)

Compound Name

2-phenyl-3-(propylsulfanyl)-N-[2-(trifluoromethyl)phenyl]-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

IUPAC name

2-phenyl-3-(propylsulfanyl)-N-[2-(trifluoromethyl)phenyl]-148-triazaspiro[4.5]deca-13-diene-8-carboxamide

SMILES

CCCSC1=NC(CC2)(CCN2C(Nc2c(C(F)(F)F)cccc2)=O)N=C1c1ccccc1

InChI

InChI=1S/C24H25F3N4OS/c1-2-16-33-21-20(17-8-4-3-5-9-17)29-23(30-21)12-14-31(15-13-23)22(32)28-19-11-7-6-10-18(19)24(25,26)27/h3-11H,2,12-16H2,1H3,(H,28,32)

InChI Key

ZHXXAYLRVQRLRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.827

Distribution Coefficient, logD

4.827

Water Solubility, LogSw

-4.49

Polar Surface Area

41.932

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E972-0229 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E972-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E972-0229?
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What is the minimum amount of E972-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E972-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E972-0229
  • 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 E972-0229 available by request