S217-0397 Screening compound: 1'-(3-fluorobenzoyl)-5-isobutyl-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]

S217-0397 Screening compound: 1'-(3-fluorobenzoyl)-5-isobutyl-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]
S217-0397 Screening compound: 1'-(3-fluorobenzoyl)-5-isobutyl-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine] alternative view

Chemical Structure Depiction of ChemDiv screening compound S217-0397
1'-(3-fluorobenzoyl)-5-isobutyl-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

S217-0397

Molecular Formula

C26H29FN4O (C26 H29 FN4 O)

Compound Name

1'-(3-fluorobenzoyl)-5-isobutyl-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]

IUPAC name

1-(3-fluorobenzoyl)-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(c2cccc(F)c2)=O)c2nccn2-c2c1cccc2

InChI

InChI=1S/C26H29FN4O/c1-19(2)17-30-18-21-6-3-4-9-23(21)31-15-12-28-25(31)26(30)10-13-29(14-11-26)24(32)20-7-5-8-22(27)16-20/h3-9,12,15-16,19H,10-11,13-14,17-18H2,1-2H3

InChI Key

AWKZCSRVRYZLJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

3.963

Water Solubility, LogSw

-4.24

Polar Surface Area

31.717

Acid Dissociation Constant (pKa)

25.63

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

S217-0397 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bromodomain Modulators Library (5801 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

TLR-8 ligands Library (674 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Female
  • Skin
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with S217-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S217-0397?
Check Price and Availability of S217-0397, 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 S217-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S217-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S217-0397
  • 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 S217-0397 available by request