E972-0002 Screening compound: 2-(4-methylphenyl)-3-(methylsulfanyl)-N-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

E972-0002 Screening compound: 2-(4-methylphenyl)-3-(methylsulfanyl)-N-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
E972-0002 Screening compound: 2-(4-methylphenyl)-3-(methylsulfanyl)-N-phenyl-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E972-0002
2-(4-methylphenyl)-3-(methylsulfanyl)-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

E972-0002

Molecular Formula

C22H24N4OS (C22 H24 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C1=NC(CC2)(CCN2C(Nc2ccccc2)=O)N=C1SC

InChI

InChI=1S/C22H24N4OS/c1-16-8-10-17(11-9-16)19-20(28-2)25-22(24-19)12-14-26(15-13-22)21(27)23-18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3,(H,23,27)

InChI Key

YUDUIGOTVYUMDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.553

Distribution Coefficient, logD

3.553

Water Solubility, LogSw

-3.72

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

31.80

References: we are preparing a list of scientific research reports with E972-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E972-0002?
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What is the minimum amount of E972-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E972-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E972-0002
  • 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 E972-0002 available by request