S217-0666 Screening compound: 1'-(5-bromo-2-furoyl)-5-methyl-5,6-dihydrospiro[imidazo[1,2-{a}][1,4]benzodiazepine-4,4'-piperidine]

S217-0666 Screening compound: 1'-(5-bromo-2-furoyl)-5-methyl-5,6-dihydrospiro[imidazo[1,2-{a}][1,4]benzodiazepine-4,4'-piperidine]
S217-0666 Screening compound: 1'-(5-bromo-2-furoyl)-5-methyl-5,6-dihydrospiro[imidazo[1,2-{a}][1,4]benzodiazepine-4,4'-piperidine] alternative view

Chemical Structure Depiction of ChemDiv screening compound S217-0666
1'-(5-bromo-2-furoyl)-5-methyl-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

S217-0666

Molecular Formula

C21H21BrN4O2 (C21 H21 BrN4 O2)

Compound Name

1'-(5-bromo-2-furoyl)-5-methyl-5,6-dihydrospiro[imidazo[1,2-{a}][1,4]benzodiazepine-4,4'-piperidine]

IUPAC name

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

SMILES

CN(C1)C(CC2)(CCN2C(c(o2)ccc2Br)=O)c2nccn2-c2c1cccc2

InChI

InChI=1S/C21H21BrN4O2/c1-24-14-15-4-2-3-5-16(15)26-13-10-23-20(26)21(24)8-11-25(12-9-21)19(27)17-6-7-18(22)28-17/h2-7,10,13H,8-9,11-12,14H2,1H3

InChI Key

BIHGYMOCEKQHSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29004557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.082

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-3.24

Polar Surface Area

40.358

Acid Dissociation Constant (pKa)

26.67

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

S217-0666 in Drug Discovery

Included in Screening Libraries

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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S217-0666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S217-0666?
Check Price and Availability of S217-0666, 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 S217-0666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S217-0666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S217-0666
  • 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 S217-0666 available by request