E972-0305 Screening compound: 2-(4-methoxyphenyl)-N-(3-methylphenyl)-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

E972-0305 Screening compound: 2-(4-methoxyphenyl)-N-(3-methylphenyl)-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
E972-0305 Screening compound: 2-(4-methoxyphenyl)-N-(3-methylphenyl)-3-(propylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E972-0305
2-(4-methoxyphenyl)-N-(3-methylphenyl)-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

E972-0305

Molecular Formula

C25H30N4O2S (C25 H30 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCSC1=NC(CC2)(CCN2C(Nc2cc(C)ccc2)=O)N=C1c(cc1)ccc1OC

InChI

InChI=1S/C25H30N4O2S/c1-4-16-32-23-22(19-8-10-21(31-3)11-9-19)27-25(28-23)12-14-29(15-13-25)24(30)26-20-7-5-6-18(2)17-20/h5-11,17H,4,12-16H2,1-3H3,(H,26,30)

InChI Key

ZCXNAOPFEKRUPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.6

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

4.362

Distribution Coefficient, logD

4.362

Water Solubility, LogSw

-4.22

Polar Surface Area

50.173

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with E972-0305 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E972-0305?
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What is the minimum amount of E972-0305 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E972-0305
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E972-0305
  • 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 E972-0305 available by request