E972-0436 Screening compound: 2-(4-chlorophenyl)-N-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

E972-0436 Screening compound: 2-(4-chlorophenyl)-N-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
E972-0436 Screening compound: 2-(4-chlorophenyl)-N-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E972-0436
2-(4-chlorophenyl)-N-(4-methoxyphenyl)-3-(methylsulfanyl)-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

E972-0436

Molecular Formula

C22H23ClN4O2S (C22 H23 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(N(CC1)CCC1(N=C1c(cc2)ccc2Cl)N=C1SC)=O

InChI

InChI=1S/C22H23ClN4O2S/c1-29-18-9-7-17(8-10-18)24-21(28)27-13-11-22(12-14-27)25-19(20(26-22)30-2)15-3-5-16(23)6-4-15/h3-10H,11-14H2,1-2H3,(H,24,28)

InChI Key

MESSBIKCDZBXRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-4.49

Polar Surface Area

50.173

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with E972-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E972-0436?
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What is the minimum amount of E972-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E972-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E972-0436
  • 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 E972-0436 available by request