S738-1161 Screening compound: 3-({3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidin-1-yl}methyl)pyridine

S738-1161 Screening compound: 3-({3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidin-1-yl}methyl)pyridine
S738-1161 Screening compound: 3-({3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidin-1-yl}methyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S738-1161
3-({3-[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]azetidin-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

S738-1161

Molecular Formula

C17H22N4 (C17 H22 N4)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(C2CN(Cc3cccnc3)C2)n1CC1CC1

InChI

InChI=1S/C17H22N4/c1-13-7-19-17(21(13)10-14-4-5-14)16-11-20(12-16)9-15-3-2-6-18-8-15/h2-3,6-8,14,16H,4-5,9-12H2,1H3

InChI Key

MEFBEBJILXQWJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31967916

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

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.832

Distribution Coefficient, logD

-0.054

Water Solubility, LogSw

-0.46

Polar Surface Area

25.123

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

9.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.94

S738-1161 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S738-1161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S738-1161?
Check Price and Availability of S738-1161, 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 S738-1161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S738-1161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S738-1161
  • 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 S738-1161 available by request