E697-0073 Screening compound: 8-(3-chlorobenzoyl)-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one

E697-0073 Screening compound: 8-(3-chlorobenzoyl)-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
E697-0073 Screening compound: 8-(3-chlorobenzoyl)-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E697-0073
8-(3-chlorobenzoyl)-3-phenyl-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

E697-0073

Molecular Formula

C20H18ClN3O2 (C20 H18 ClN3 O2)

Compound Name

8-(3-chlorobenzoyl)-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one

IUPAC name

8-(3-chlorobenzoyl)-3-phenyl-148-triazaspiro[4.5]dec-3-en-2-one

SMILES

O=C(c1cccc(Cl)c1)N(CC1)CCC1(NC1=O)N=C1c1ccccc1

InChI

InChI=1S/C20H18ClN3O2/c21-16-8-4-7-15(13-16)19(26)24-11-9-20(10-12-24)22-17(18(25)23-20)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,23,25)

InChI Key

BVOBXVYYSGPYCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.83

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

2.383

Distribution Coefficient, logD

2.378

Water Solubility, LogSw

-3.50

Polar Surface Area

50.238

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E697-0073 in Drug Discovery

Included in Screening Libraries

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 E697-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E697-0073?
Check Price and Availability of E697-0073, 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 E697-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E697-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E697-0073
  • 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 E697-0073 available by request