S696-1544 Screening compound: 4-{1-[(1-cyclobutylazetidin-3-yl)methyl]-5-methyl-1H-imidazol-2-yl}pyridine

S696-1544 Screening compound: 4-{1-[(1-cyclobutylazetidin-3-yl)methyl]-5-methyl-1H-imidazol-2-yl}pyridine
S696-1544 Screening compound: 4-{1-[(1-cyclobutylazetidin-3-yl)methyl]-5-methyl-1H-imidazol-2-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S696-1544
4-{1-[(1-cyclobutylazetidin-3-yl)methyl]-5-methyl-1H-imidazol-2-yl}pyridine

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

S696-1544

Molecular Formula

C17H22N4 (C17 H22 N4)

Compound Name

4-{1-[(1-cyclobutylazetidin-3-yl)methyl]-5-methyl-1H-imidazol-2-yl}pyridine

IUPAC name

4-{1-[(1-cyclobutylazetidin-3-yl)methyl]-5-methyl-1H-imidazol-2-yl}pyridine

SMILES

Cc1cnc(-c2ccncc2)n1CC(C1)CN1C1CCC1

InChI

InChI=1S/C17H22N4/c1-13-9-19-17(15-5-7-18-8-6-15)21(13)12-14-10-20(11-14)16-3-2-4-16/h5-9,14,16H,2-4,10-12H2,1H3

InChI Key

XOTXTGRINJLGIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31964045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.961

Distribution Coefficient, logD

-4.033

Water Solubility, LogSw

-1.10

Polar Surface Area

24.394

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

13.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

S696-1544 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S696-1544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S696-1544?
Check Price and Availability of S696-1544, 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 S696-1544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S696-1544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S696-1544
  • 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 S696-1544 available by request