E697-0236 Screening compound: 3-(4-chlorophenyl)-8-(3-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one

E697-0236 Screening compound: 3-(4-chlorophenyl)-8-(3-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
E697-0236 Screening compound: 3-(4-chlorophenyl)-8-(3-methylbenzoyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E697-0236
3-(4-chlorophenyl)-8-(3-methylbenzoyl)-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

E697-0236

Molecular Formula

C21H20ClN3O2 (C21 H20 ClN3 O2)

Compound Name

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

IUPAC name

3-(4-chlorophenyl)-8-(3-methylbenzoyl)-148-triazaspiro[4.5]dec-3-en-2-one

SMILES

Cc1cccc(C(N(CC2)CCC2(NC2=O)N=C2c(cc2)ccc2Cl)=O)c1

InChI

InChI=1S/C21H20ClN3O2/c1-14-3-2-4-16(13-14)20(27)25-11-9-21(10-12-25)23-18(19(26)24-21)15-5-7-17(22)8-6-15/h2-8,13H,9-12H2,1H3,(H,24,26)

InChI Key

YWOLEJCPTCSURD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14910581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.86

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

2.791

Distribution Coefficient, logD

2.786

Water Solubility, LogSw

-3.65

Polar Surface Area

50.238

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E697-0236 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 E697-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E697-0236?
Check Price and Availability of E697-0236, 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 E697-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E697-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E697-0236
  • 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 E697-0236 available by request