S696-0997 Screening compound: 3-(5-methyl-1-{[1-(3-methylbenzoyl)azetidin-3-yl]methyl}-1H-imidazol-2-yl)pyridine

S696-0997 Screening compound: 3-(5-methyl-1-{[1-(3-methylbenzoyl)azetidin-3-yl]methyl}-1H-imidazol-2-yl)pyridine
S696-0997 Screening compound: 3-(5-methyl-1-{[1-(3-methylbenzoyl)azetidin-3-yl]methyl}-1H-imidazol-2-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S696-0997
3-(5-methyl-1-{[1-(3-methylbenzoyl)azetidin-3-yl]methyl}-1H-imidazol-2-yl)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

S696-0997

Molecular Formula

C21H22N4O (C21 H22 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(-c2cnccc2)n1CC(C1)CN1C(c1cc(C)ccc1)=O

InChI

InChI=1S/C21H22N4O/c1-15-5-3-6-18(9-15)21(26)24-12-17(13-24)14-25-16(2)10-23-20(25)19-7-4-8-22-11-19/h3-11,17H,12-14H2,1-2H3

InChI Key

PQYDDIIRJIMMGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31976086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.442

Distribution Coefficient, logD

1.962

Water Solubility, LogSw

-2.04

Polar Surface Area

37.516

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

S696-0997 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S696-0997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S696-0997?
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What is the minimum amount of S696-0997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S696-0997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S696-0997
  • 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 S696-0997 available by request