S695-0048 Screening compound: 3-methyl-1-[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)azetidin-1-yl]butan-1-one

S695-0048 Screening compound: 3-methyl-1-[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)azetidin-1-yl]butan-1-one
S695-0048 Screening compound: 3-methyl-1-[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)azetidin-1-yl]butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S695-0048
3-methyl-1-[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)azetidin-1-yl]butan-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

S695-0048

Molecular Formula

C18H23N3O (C18 H23 N3 O)

Compound Name

3-methyl-1-[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)azetidin-1-yl]butan-1-one

IUPAC name

3-methyl-1-[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)azetidin-1-yl]butan-1-one

SMILES

CC(C)CC(N(C1)CC1n1c(-c2ccccc2)ncc1C)=O

InChI

InChI=1S/C18H23N3O/c1-13(2)9-17(22)20-11-16(12-20)21-14(3)10-19-18(21)15-7-5-4-6-8-15/h4-8,10,13,16H,9,11-12H2,1-3H3

InChI Key

HLRWSALXOTYOFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31965087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.4

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

2.905

Distribution Coefficient, logD

2.848

Water Solubility, LogSw

-2.90

Polar Surface Area

28.126

Acid Dissociation Constant (pKa)

21.11

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

S695-0048 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS BBB Library (22607 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S695-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S695-0048?
Check Price and Availability of S695-0048, 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 S695-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S695-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S695-0048
  • 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 S695-0048 available by request