S693-0484 Screening compound: 1-(benzenesulfonyl)-3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine

S693-0484 Screening compound: 1-(benzenesulfonyl)-3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine
S693-0484 Screening compound: 1-(benzenesulfonyl)-3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S693-0484
1-(benzenesulfonyl)-3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}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

S693-0484

Molecular Formula

C21H29N3O3S (C21 H29 N3 O3 S)

Compound Name

1-(benzenesulfonyl)-3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine

IUPAC name

1-(benzenesulfonyl)-3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}piperidine

SMILES

Cc1cnc(C2CCOCC2)n1CC(CCC1)CN1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C21H29N3O3S/c1-17-14-22-21(19-9-12-27-13-10-19)24(17)16-18-6-5-11-23(15-18)28(25,26)20-7-3-2-4-8-20/h2-4,7-8,14,18-19H,5-6,9-13,15-16H2,1H3/t18-/m0/s1

InChI Key

BMUSGKOIJWIKHL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31996615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.087

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-3.08

Polar Surface Area

50.897

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.14

S693-0484 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S693-0484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S693-0484?
Check Price and Availability of S693-0484, 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 S693-0484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S693-0484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S693-0484
  • 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 S693-0484 available by request