E697-0543 Screening compound: ethyl 4-{[2-(4-tert-butylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]amino}benzoate

E697-0543 Screening compound: ethyl 4-{[2-(4-tert-butylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]amino}benzoate
E697-0543 Screening compound: ethyl 4-{[2-(4-tert-butylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E697-0543
ethyl 4-{[2-(4-tert-butylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]amino}benzoate

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

E697-0543

Molecular Formula

C27H32N4O4 (C27 H32 N4 O4)

Compound Name

ethyl 4-{[2-(4-tert-butylphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-ene-8-carbonyl]amino}benzoate

IUPAC name

ethyl 4-{[2-(4-tert-butylphenyl)-3-oxo-148-triazaspiro[4.5]dec-1-ene-8-carbonyl]amino}benzoate

SMILES

CCOC(c(cc1)ccc1NC(N(CC1)CCC1(NC1=O)N=C1c1ccc(C(C)(C)C)cc1)=O)=O

InChI

InChI=1S/C27H32N4O4/c1-5-35-24(33)19-8-12-21(13-9-19)28-25(34)31-16-14-27(15-17-31)29-22(23(32)30-27)18-6-10-20(11-7-18)26(2,3)4/h6-13H,5,14-17H2,1-4H3,(H,28,34)(H,30,32)

InChI Key

MJQAWDXIDHRQLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.665

Distribution Coefficient, logD

4.660

Water Solubility, LogSw

-4.19

Polar Surface Area

79.812

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

E697-0543 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Pool
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E697-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E697-0543?
Check Price and Availability of E697-0543, 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 E697-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E697-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E697-0543
  • 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 E697-0543 available by request