S692-0357 Screening compound: (1-methyl-1H-imidazol-4-yl)[3-(5-methyl-2-tetrahydro-2H-pyran-4-yl-1H-imidazol-1-yl)piperidino]methanone

S692-0357 Screening compound: (1-methyl-1H-imidazol-4-yl)[3-(5-methyl-2-tetrahydro-2H-pyran-4-yl-1H-imidazol-1-yl)piperidino]methanone
S692-0357 Screening compound: (1-methyl-1H-imidazol-4-yl)[3-(5-methyl-2-tetrahydro-2H-pyran-4-yl-1H-imidazol-1-yl)piperidino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S692-0357
(1-methyl-1H-imidazol-4-yl)[3-(5-methyl-2-tetrahydro-2H-pyran-4-yl-1H-imidazol-1-yl)piperidino]methanone

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

S692-0357

Molecular Formula

C19H27N5O2 (C19 H27 N5 O2)

Compound Name

(1-methyl-1H-imidazol-4-yl)[3-(5-methyl-2-tetrahydro-2H-pyran-4-yl-1H-imidazol-1-yl)piperidino]methanone

IUPAC name

1-(1-methyl-1H-imidazole-4-carbonyl)-3-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]piperidine

SMILES

Cc1cnc(C2CCOCC2)n1C(CCC1)CN1C(c1cn(C)cn1)=O

InChI

InChI=1S/C19H27N5O2/c1-14-10-20-18(15-5-8-26-9-6-15)24(14)16-4-3-7-23(11-16)19(25)17-12-22(2)13-21-17/h10,12-13,15-16H,3-9,11H2,1-2H3/t16-/m0/s1

InChI Key

FLRJBXXHFKLSOS-INIZCTEOSA-N

MDL Number (MFCD)

MFCD30464788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.885

Distribution Coefficient, logD

-0.470

Water Solubility, LogSw

-0.90

Polar Surface Area

48.855

Acid Dissociation Constant (pKa)

23.26

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

S692-0357 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

References: we are preparing a list of scientific research reports with S692-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S692-0357?
Check Price and Availability of S692-0357, 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 S692-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S692-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S692-0357
  • 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 S692-0357 available by request