S217-0194 Screening compound: N,N-dimethyl-4-[(5-methyl-5,6-dihydro-1'H-spiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidin]-1'-yl)carbonyl]aniline

S217-0194 Screening compound: N,N-dimethyl-4-[(5-methyl-5,6-dihydro-1'H-spiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidin]-1'-yl)carbonyl]aniline
S217-0194 Screening compound: N,N-dimethyl-4-[(5-methyl-5,6-dihydro-1'H-spiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidin]-1'-yl)carbonyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound S217-0194
N,N-dimethyl-4-[(5-methyl-5,6-dihydro-1'H-spiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidin]-1'-yl)carbonyl]aniline

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

S217-0194

Molecular Formula

C25H29N5O (C25 H29 N5 O)

Compound Name

N,N-dimethyl-4-[(5-methyl-5,6-dihydro-1'H-spiro[imidazo[1,2-a][1,4]benzodiazepine-4,4'-piperidin]-1'-yl)carbonyl]aniline

IUPAC name

NN-dimethyl-4-({8'-methyl-2'5'8'-triazaspiro[piperidine-47'-tricyclo[8.4.0.0^{26}]tetradecane]-1'(10')3'5'11'13'-pentaen-1-yl}carbonyl)aniline

SMILES

CN(C)c(cc1)ccc1C(N(CC1)CCC11N(C)Cc(cccc2)c2-n2c1ncc2)=O

InChI

InChI=1S/C25H29N5O/c1-27(2)21-10-8-19(9-11-21)23(31)29-15-12-25(13-16-29)24-26-14-17-30(24)22-7-5-4-6-20(22)18-28(25)3/h4-11,14,17H,12-13,15-16,18H2,1-3H3

InChI Key

HNWPQPLWNBUMRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.901

Distribution Coefficient, logD

2.697

Water Solubility, LogSw

-3.30

Polar Surface Area

34.237

Acid Dissociation Constant (pKa)

26.59

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

S217-0194 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 S217-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S217-0194?
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What is the minimum amount of S217-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S217-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S217-0194
  • 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 S217-0194 available by request