S738-0049 Screening compound: 1-benzyl-2-(1-cyclopropanecarbonylazetidin-3-yl)-5-methyl-1H-imidazole

S738-0049 Screening compound: 1-benzyl-2-(1-cyclopropanecarbonylazetidin-3-yl)-5-methyl-1H-imidazole
S738-0049 Screening compound: 1-benzyl-2-(1-cyclopropanecarbonylazetidin-3-yl)-5-methyl-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S738-0049
1-benzyl-2-(1-cyclopropanecarbonylazetidin-3-yl)-5-methyl-1H-imidazole

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

S738-0049

Molecular Formula

C18H21N3O (C18 H21 N3 O)

Compound Name

1-benzyl-2-(1-cyclopropanecarbonylazetidin-3-yl)-5-methyl-1H-imidazole

IUPAC name

1-benzyl-2-(1-cyclopropanecarbonylazetidin-3-yl)-5-methyl-1H-imidazole

SMILES

Cc1cnc(C(C2)CN2C(C2CC2)=O)n1Cc1ccccc1

InChI

InChI=1S/C18H21N3O/c1-13-9-19-17(21(13)10-14-5-3-2-4-6-14)16-11-20(12-16)18(22)15-7-8-15/h2-6,9,15-16H,7-8,10-12H2,1H3

InChI Key

DPKGRMUKAMNKHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31968349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.38

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

2.641

Distribution Coefficient, logD

1.615

Water Solubility, LogSw

-2.53

Polar Surface Area

28.521

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

S738-0049 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS BBB Library (22607 compounds)

CORONAVIRUS Library (20774 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S738-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S738-0049?
Check Price and Availability of S738-0049, 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 S738-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S738-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S738-0049
  • 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 S738-0049 available by request