S696-1651 Screening compound: 1-(3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}-1-azetanyl)-3-(4-methoxyphenyl)-1-propanone

S696-1651 Screening compound: 1-(3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}-1-azetanyl)-3-(4-methoxyphenyl)-1-propanone
S696-1651 Screening compound: 1-(3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}-1-azetanyl)-3-(4-methoxyphenyl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S696-1651
1-(3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}-1-azetanyl)-3-(4-methoxyphenyl)-1-propanone

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

S696-1651

Molecular Formula

C20H27N3O3 (C20 H27 N3 O3)

Compound Name

1-(3-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}-1-azetanyl)-3-(4-methoxyphenyl)-1-propanone

IUPAC name

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

SMILES

Cc1cnc(COC)n1CC(C1)CN1C(CCc(cc1)ccc1OC)=O

InChI

InChI=1S/C20H27N3O3/c1-15-10-21-19(14-25-2)23(15)13-17-11-22(12-17)20(24)9-6-16-4-7-18(26-3)8-5-16/h4-5,7-8,10,17H,6,9,11-14H2,1-3H3

InChI Key

KGTVNBLWPDOONF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31996386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.138

Distribution Coefficient, logD

1.152

Water Solubility, LogSw

-2.14

Polar Surface Area

44.686

Acid Dissociation Constant (pKa)

22.66

Base Dissociation Constant (pKb)

8.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S696-1651 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S696-1651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S696-1651?
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What is the minimum amount of S696-1651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S696-1651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S696-1651
  • 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 S696-1651 available by request