S738-0349 Screening compound: 3-{[2-(1-cyclohexanecarbonylazetidin-3-yl)-5-methyl-1H-imidazol-1-yl]methyl}pyridine

S738-0349 Screening compound: 3-{[2-(1-cyclohexanecarbonylazetidin-3-yl)-5-methyl-1H-imidazol-1-yl]methyl}pyridine
S738-0349 Screening compound: 3-{[2-(1-cyclohexanecarbonylazetidin-3-yl)-5-methyl-1H-imidazol-1-yl]methyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S738-0349
3-{[2-(1-cyclohexanecarbonylazetidin-3-yl)-5-methyl-1H-imidazol-1-yl]methyl}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

S738-0349

Molecular Formula

C20H26N4O (C20 H26 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(C(C2)CN2C(C2CCCCC2)=O)n1Cc1cnccc1

InChI

InChI=1S/C20H26N4O/c1-15-10-22-19(24(15)12-16-6-5-9-21-11-16)18-13-23(14-18)20(25)17-7-3-2-4-8-17/h5-6,9-11,17-18H,2-4,7-8,12-14H2,1H3

InChI Key

NZBGSJMKMBKCLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31985403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.511

Distribution Coefficient, logD

1.150

Water Solubility, LogSw

-1.94

Polar Surface Area

37.708

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

S738-0349 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S738-0349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S738-0349?
Check Price and Availability of S738-0349, 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 S738-0349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S738-0349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S738-0349
  • 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 S738-0349 available by request