S738-0064 Screening compound: 1-[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)azetidin-1-yl]-3-(4-methoxyphenyl)propan-1-one

S738-0064 Screening compound: 1-[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)azetidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
S738-0064 Screening compound: 1-[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)azetidin-1-yl]-3-(4-methoxyphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S738-0064
1-[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)azetidin-1-yl]-3-(4-methoxyphenyl)propan-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

S738-0064

Molecular Formula

C24H27N3O2 (C24 H27 N3 O2)

Compound Name

1-[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)azetidin-1-yl]-3-(4-methoxyphenyl)propan-1-one

IUPAC name

1-[3-(1-benzyl-5-methyl-1H-imidazol-2-yl)azetidin-1-yl]-3-(4-methoxyphenyl)propan-1-one

SMILES

Cc1cnc(C(C2)CN2C(CCc(cc2)ccc2OC)=O)n1Cc1ccccc1

InChI

InChI=1S/C24H27N3O2/c1-18-14-25-24(27(18)15-20-6-4-3-5-7-20)21-16-26(17-21)23(28)13-10-19-8-11-22(29-2)12-9-19/h3-9,11-12,14,21H,10,13,15-17H2,1-2H3

InChI Key

USSVCIVDIKTCRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31995446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

2.796

Water Solubility, LogSw

-3.80

Polar Surface Area

35.014

Acid Dissociation Constant (pKa)

22.39

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

S738-0064 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CORONAVIRUS Library (20774 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
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S738-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S738-0064?
Check Price and Availability of S738-0064, 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 S738-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S738-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S738-0064
  • 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 S738-0064 available by request