S738-0023 Screening compound: 1-[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)azetidin-1-yl]-2-phenoxypropan-1-one

S738-0023 Screening compound: 1-[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)azetidin-1-yl]-2-phenoxypropan-1-one
S738-0023 Screening compound: 1-[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)azetidin-1-yl]-2-phenoxypropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S738-0023
1-[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)azetidin-1-yl]-2-phenoxypropan-1-one

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

S738-0023

Molecular Formula

C23H25N3O2 (C23 H25 N3 O2)

Compound Name

1-[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)azetidin-1-yl]-2-phenoxypropan-1-one

IUPAC name

1-[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)azetidin-1-yl]-2-phenoxypropan-1-one

SMILES

CC(C(N(C1)CC1c1ncc(C)n1Cc1ccccc1)=O)Oc1ccccc1

InChI

InChI=1S/C23H25N3O2/c1-17-13-24-22(26(17)14-19-9-5-3-6-10-19)20-15-25(16-20)23(27)18(2)28-21-11-7-4-8-12-21/h3-13,18,20H,14-16H2,1-2H3/t18-/m0/s1

InChI Key

BDDKNRAHZDMTMF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD31968345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.598

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-3.23

Polar Surface Area

34.787

Acid Dissociation Constant (pKa)

22.03

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

S738-0023 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S738-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S738-0023?
Check Price and Availability of S738-0023, 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 S738-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S738-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S738-0023
  • 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 S738-0023 available by request