E972-0130 Screening compound: 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

E972-0130 Screening compound: 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
E972-0130 Screening compound: 2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E972-0130
2-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(ethylsulfanyl)-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

E972-0130

Molecular Formula

C24H27ClN4OS (C24 H27 ClN4 OS)

Compound Name

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

IUPAC name

2-(4-chlorophenyl)-N-(34-dimethylphenyl)-3-(ethylsulfanyl)-148-triazaspiro[4.5]deca-13-diene-8-carboxamide

SMILES

CCSC1=NC(CC2)(CCN2C(Nc2cc(C)c(C)cc2)=O)N=C1c(cc1)ccc1Cl

InChI

InChI=1S/C24H27ClN4OS/c1-4-31-22-21(18-6-8-19(25)9-7-18)27-24(28-22)11-13-29(14-12-24)23(30)26-20-10-5-16(2)17(3)15-20/h5-10,15H,4,11-14H2,1-3H3,(H,26,30)

InChI Key

UNKDHESCBCOYNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.02

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

5.340

Distribution Coefficient, logD

5.340

Water Solubility, LogSw

-5.93

Polar Surface Area

42.629

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with E972-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E972-0130?
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What is the minimum amount of E972-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E972-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E972-0130
  • 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 E972-0130 available by request