S217-0214 Screening compound: 5-methyl-1'-(3-methylbutanoyl)-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]

S217-0214 Screening compound: 5-methyl-1'-(3-methylbutanoyl)-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine]
S217-0214 Screening compound: 5-methyl-1'-(3-methylbutanoyl)-5,6-dihydrospiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidine] alternative view

Chemical Structure Depiction of ChemDiv screening compound S217-0214
5-methyl-1'-(3-methylbutanoyl)-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

S217-0214

Molecular Formula

C21H28N4O (C21 H28 N4 O)

Compound Name

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

IUPAC name

3-methyl-1-{8'-methyl-2'5'8'-triazaspiro[piperidine-47'-tricyclo[8.4.0.0^{26}]tetradecane]-1'(10')3'5'11'13'-pentaen-1-yl}butan-1-one

SMILES

CC(C)CC(N(CC1)CCC11N(C)Cc(cccc2)c2-n2c1ncc2)=O

InChI

InChI=1S/C21H28N4O/c1-16(2)14-19(26)24-11-8-21(9-12-24)20-22-10-13-25(20)18-7-5-4-6-17(18)15-23(21)3/h4-7,10,13,16H,8-9,11-12,14-15H2,1-3H3

InChI Key

ITMNYLNNPVAXSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.772

Distribution Coefficient, logD

2.521

Water Solubility, LogSw

-3.00

Polar Surface Area

31.177

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

S217-0214 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bromodomain Modulators Library (5801 compounds)

CNS MPO Library (28609 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
  • Nervous 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 S217-0214 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S217-0214?
Check Price and Availability of S217-0214, 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 S217-0214 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S217-0214
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S217-0214
  • 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 S217-0214 available by request