E972-0065 Screening compound: N-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

E972-0065 Screening compound: N-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
E972-0065 Screening compound: N-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E972-0065
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(propylsulfanyl)-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

E972-0065

Molecular Formula

C24H27FN4O2S (C24 H27 FN4 O2 S)

Compound Name

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

IUPAC name

N-(4-fluorophenyl)-2-(4-methoxyphenyl)-3-(propylsulfanyl)-148-triazaspiro[4.5]deca-13-diene-8-carboxamide

SMILES

CCCSC1=NC(CC2)(CCN2C(Nc(cc2)ccc2F)=O)N=C1c(cc1)ccc1OC

InChI

InChI=1S/C24H27FN4O2S/c1-3-16-32-22-21(17-4-10-20(31-2)11-5-17)27-24(28-22)12-14-29(15-13-24)23(30)26-19-8-6-18(25)7-9-19/h4-11H,3,12-16H2,1-2H3,(H,26,30)

InChI Key

CMBXRNBDNLHRDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.031

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-3.99

Polar Surface Area

50.173

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E972-0065 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 E972-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E972-0065?
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What is the minimum amount of E972-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E972-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E972-0065
  • 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 E972-0065 available by request