S697-2153 Screening compound: 2-(4-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine-1-carbonyl)pyridine

S697-2153 Screening compound: 2-(4-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine-1-carbonyl)pyridine
S697-2153 Screening compound: 2-(4-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine-1-carbonyl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S697-2153
2-(4-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine-1-carbonyl)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

S697-2153

Molecular Formula

C18H24N4O2 (C18 H24 N4 O2)

Compound Name

2-(4-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine-1-carbonyl)pyridine

IUPAC name

2-(4-{[2-(methoxymethyl)-5-methyl-1H-imidazol-1-yl]methyl}piperidine-1-carbonyl)pyridine

SMILES

Cc1cnc(COC)n1CC(CC1)CCN1C(c1ncccc1)=O

InChI

InChI=1S/C18H24N4O2/c1-14-11-20-17(13-24-2)22(14)12-15-6-9-21(10-7-15)18(23)16-5-3-4-8-19-16/h3-5,8,11,15H,6-7,9-10,12-13H2,1-2H3

InChI Key

ZWHNWHDKQKVVOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31995651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.365

Distribution Coefficient, logD

0.814

Water Solubility, LogSw

-1.45

Polar Surface Area

46.519

Acid Dissociation Constant (pKa)

24.61

Base Dissociation Constant (pKb)

7.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S697-2153 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S697-2153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S697-2153?
Check Price and Availability of S697-2153, 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 S697-2153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S697-2153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S697-2153
  • 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 S697-2153 available by request