E972-0082 Screening compound: 2-(4-chlorophenyl)-3-(ethylsulfanyl)-N-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

E972-0082 Screening compound: 2-(4-chlorophenyl)-3-(ethylsulfanyl)-N-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
E972-0082 Screening compound: 2-(4-chlorophenyl)-3-(ethylsulfanyl)-N-(3-methoxyphenyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E972-0082
2-(4-chlorophenyl)-3-(ethylsulfanyl)-N-(3-methoxyphenyl)-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

E972-0082

Molecular Formula

C23H25ClN4O2S (C23 H25 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCSC1=NC(CC2)(CCN2C(Nc2cc(OC)ccc2)=O)N=C1c(cc1)ccc1Cl

InChI

InChI=1S/C23H25ClN4O2S/c1-3-31-21-20(16-7-9-17(24)10-8-16)26-23(27-21)11-13-28(14-12-23)22(29)25-18-5-4-6-19(15-18)30-2/h4-10,15H,3,11-14H2,1-2H3,(H,25,29)

InChI Key

SXWWIZMSZKQNPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

4.419

Water Solubility, LogSw

-4.59

Polar Surface Area

50.173

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with E972-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E972-0082?
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What is the minimum amount of E972-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E972-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E972-0082
  • 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 E972-0082 available by request