S696-0409 Screening compound: 4-methyl-5-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidine-1-carbonyl)-1,3-oxazole

S696-0409 Screening compound: 4-methyl-5-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidine-1-carbonyl)-1,3-oxazole
S696-0409 Screening compound: 4-methyl-5-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidine-1-carbonyl)-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S696-0409
4-methyl-5-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidine-1-carbonyl)-1,3-oxazole

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

S696-0409

Molecular Formula

C18H24N4O3 (C18 H24 N4 O3)

Compound Name

4-methyl-5-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidine-1-carbonyl)-1,3-oxazole

IUPAC name

4-methyl-5-(3-{[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]methyl}azetidine-1-carbonyl)-13-oxazole

SMILES

Cc1cnc(C2CCOCC2)n1CC(C1)CN1C(c1c(C)nco1)=O

InChI

InChI=1S/C18H24N4O3/c1-12-7-19-17(15-3-5-24-6-4-15)22(12)10-14-8-21(9-14)18(23)16-13(2)20-11-25-16/h7,11,14-15H,3-6,8-10H2,1-2H3

InChI Key

NELQLUZUFVNSFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31996137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.391

Distribution Coefficient, logD

0.129

Water Solubility, LogSw

-1.30

Polar Surface Area

55.013

Acid Dissociation Constant (pKa)

24.90

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.11

S696-0409 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S696-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S696-0409?
Check Price and Availability of S696-0409, 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 S696-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S696-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S696-0409
  • 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 S696-0409 available by request