S692-0545 Screening compound: 1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]piperidine

S692-0545 Screening compound: 1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]piperidine
S692-0545 Screening compound: 1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S692-0545
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]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

S692-0545

Molecular Formula

C19H29N5O3S (C19 H29 N5 O3 S)

Compound Name

1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]piperidine

IUPAC name

1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]piperidine

SMILES

CCn1ncc(S(N(CCC2)CC2n2c(C3CCOCC3)ncc2C)(=O)=O)c1

InChI

InChI=1S/C19H29N5O3S/c1-3-22-14-18(12-21-22)28(25,26)23-8-4-5-17(13-23)24-15(2)11-20-19(24)16-6-9-27-10-7-16/h11-12,14,16-17H,3-10,13H2,1-2H3/t17-/m0/s1

InChI Key

OYLIRSXXGYBOJK-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31966362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.044

Distribution Coefficient, logD

-0.370

Water Solubility, LogSw

-1.70

Polar Surface Area

65.783

Acid Dissociation Constant (pKa)

23.34

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

S692-0545 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S692-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S692-0545?
Check Price and Availability of S692-0545, 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 S692-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S692-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S692-0545
  • 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 S692-0545 available by request