S696-0402 Screening compound: 3-cyclopentyl-1-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidin-1-yl)propan-1-one

S696-0402 Screening compound: 3-cyclopentyl-1-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidin-1-yl)propan-1-one
S696-0402 Screening compound: 3-cyclopentyl-1-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S696-0402
3-cyclopentyl-1-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidin-1-yl)propan-1-one

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

S696-0402

Molecular Formula

C21H33N3O2 (C21 H33 N3 O2)

Compound Name

3-cyclopentyl-1-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidin-1-yl)propan-1-one

IUPAC name

3-cyclopentyl-1-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidin-1-yl)propan-1-one

SMILES

Cc1cnc(C2CCOCC2)n1CC(C1)CN1C(CCC1CCCC1)=O

InChI

InChI=1S/C21H33N3O2/c1-16-12-22-21(19-8-10-26-11-9-19)24(16)15-18-13-23(14-18)20(25)7-6-17-4-2-3-5-17/h12,17-19H,2-11,13-15H2,1H3

InChI Key

XEHDQUPHRLXORX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32226127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.179

Distribution Coefficient, logD

1.917

Water Solubility, LogSw

-2.99

Polar Surface Area

36.129

Acid Dissociation Constant (pKa)

23.91

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.95

S696-0402 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S696-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S696-0402?
Check Price and Availability of S696-0402, 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 S696-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S696-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S696-0402
  • 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 S696-0402 available by request