E972-0677 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

E972-0677 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide
E972-0677 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-(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 E972-0677
N-(5-chloro-2-methoxyphenyl)-2-(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

E972-0677

Molecular Formula

C23H25ClN4O3S (C23 H25 ClN4 O3 S)

Compound Name

N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-1,4,8-triazaspiro[4.5]deca-1,3-diene-8-carboxamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-2-(4-methoxyphenyl)-3-(methylsulfanyl)-148-triazaspiro[4.5]deca-13-diene-8-carboxamide

SMILES

COc(cc1)ccc1C1=NC(CC2)(CCN2C(Nc(cc(cc2)Cl)c2OC)=O)N=C1SC

InChI

InChI=1S/C23H25ClN4O3S/c1-30-17-7-4-15(5-8-17)20-21(32-3)27-23(26-20)10-12-28(13-11-23)22(29)25-18-14-16(24)6-9-19(18)31-2/h4-9,14H,10-13H2,1-3H3,(H,25,29)

InChI Key

JFCJTCWLMXVSNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.952

Distribution Coefficient, logD

3.952

Water Solubility, LogSw

-4.49

Polar Surface Area

57.106

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

E972-0677 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E972-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E972-0677?
Check Price and Availability of E972-0677, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E972-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E972-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E972-0677
  • 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 E972-0677 available by request