E697-0266 Screening compound: 3-(4-methylphenyl)-8-(naphthalene-2-carbonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one

E697-0266 Screening compound: 3-(4-methylphenyl)-8-(naphthalene-2-carbonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
E697-0266 Screening compound: 3-(4-methylphenyl)-8-(naphthalene-2-carbonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E697-0266
3-(4-methylphenyl)-8-(naphthalene-2-carbonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one

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

E697-0266

Molecular Formula

C25H23N3O2 (C25 H23 N3 O2)

Compound Name

3-(4-methylphenyl)-8-(naphthalene-2-carbonyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one

IUPAC name

3-(4-methylphenyl)-8-(naphthalene-2-carbonyl)-148-triazaspiro[4.5]dec-3-en-2-one

SMILES

Cc(cc1)ccc1C1=NC(CC2)(CCN2C(c2cc3ccccc3cc2)=O)NC1=O

InChI

InChI=1S/C25H23N3O2/c1-17-6-8-19(9-7-17)22-23(29)27-25(26-22)12-14-28(15-13-25)24(30)21-11-10-18-4-2-3-5-20(18)16-21/h2-11,16H,12-15H2,1H3,(H,27,29)

InChI Key

LQJGNCNXEAOQRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.491

Distribution Coefficient, logD

3.486

Water Solubility, LogSw

-3.69

Polar Surface Area

49.966

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

E697-0266 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E697-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E697-0266?
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What is the minimum amount of E697-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E697-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E697-0266
  • 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 E697-0266 available by request