S217-0416 Screening compound: 5-isobutyl-1'-(2-methoxybenzoyl)-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]

S217-0416 Screening compound: 5-isobutyl-1'-(2-methoxybenzoyl)-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]
S217-0416 Screening compound: 5-isobutyl-1'-(2-methoxybenzoyl)-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine] alternative view

Chemical Structure Depiction of ChemDiv screening compound S217-0416
5-isobutyl-1'-(2-methoxybenzoyl)-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]

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

S217-0416

Molecular Formula

C27H32N4O2 (C27 H32 N4 O2)

Compound Name

5-isobutyl-1'-(2-methoxybenzoyl)-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]

IUPAC name

1-(2-methoxybenzoyl)-8'-(2-methylpropyl)-2'5'8'-triazaspiro[piperidine-47'-tricyclo[8.4.0.0^{26}]tetradecane]-1'(10')3'5'11'13'-pentaene

SMILES

CC(C)CN(C1)C(CC2)(CCN2C(c(cccc2)c2OC)=O)c2nccn2-c2c1cccc2

InChI

InChI=1S/C27H32N4O2/c1-20(2)18-30-19-21-8-4-6-10-23(21)31-17-14-28-26(31)27(30)12-15-29(16-13-27)25(32)22-9-5-7-11-24(22)33-3/h4-11,14,17,20H,12-13,15-16,18-19H2,1-3H3

InChI Key

ONPMRMWTEVJOOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.093

Distribution Coefficient, logD

3.807

Water Solubility, LogSw

-4.21

Polar Surface Area

39.348

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

S217-0416 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

TLR-8 ligands Library (674 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Female
  • Skin
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with S217-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S217-0416?
Check Price and Availability of S217-0416, 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 S217-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S217-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S217-0416
  • 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 S217-0416 available by request