E972-0008 Screening compound: 2-(ethylsulfanyl)-3-(4-methylphenyl)-N-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

E972-0008 Screening compound: 2-(ethylsulfanyl)-3-(4-methylphenyl)-N-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
E972-0008 Screening compound: 2-(ethylsulfanyl)-3-(4-methylphenyl)-N-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E972-0008
2-(ethylsulfanyl)-3-(4-methylphenyl)-N-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

E972-0008

Molecular Formula

C23H26N4OS (C23 H26 N4 OS)

Compound Name

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

IUPAC name

2-(ethylsulfanyl)-3-(4-methylphenyl)-N-phenyl-148-triazaspiro[4.5]deca-13-diene-8-carboxamide

SMILES

CCSC1=NC(CC2)(CCN2C(Nc2ccccc2)=O)N=C1c1ccc(C)cc1

InChI

InChI=1S/C23H26N4OS/c1-3-29-21-20(18-11-9-17(2)10-12-18)25-23(26-21)13-15-27(16-14-23)22(28)24-19-7-5-4-6-8-19/h4-12H,3,13-16H2,1-2H3,(H,24,28)

InChI Key

VUPKZFPUEQBFNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.989

Distribution Coefficient, logD

3.989

Water Solubility, LogSw

-3.94

Polar Surface Area

42.629

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with E972-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E972-0008?
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What is the minimum amount of E972-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E972-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E972-0008
  • 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 E972-0008 available by request