S776-0005 Screening compound: 3-{5-methyl-1-[2-(piperidin-4-yl)ethyl]-1H-imidazol-2-yl}pyridine

S776-0005 Screening compound: 3-{5-methyl-1-[2-(piperidin-4-yl)ethyl]-1H-imidazol-2-yl}pyridine
S776-0005 Screening compound: 3-{5-methyl-1-[2-(piperidin-4-yl)ethyl]-1H-imidazol-2-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S776-0005
3-{5-methyl-1-[2-(piperidin-4-yl)ethyl]-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

S776-0005

Molecular Formula

C16H22N4 (C16 H22 N4)

Compound Name

3-{5-methyl-1-[2-(piperidin-4-yl)ethyl]-1H-imidazol-2-yl}pyridine

IUPAC name

3-{5-methyl-1-[2-(piperidin-4-yl)ethyl]-1H-imidazol-2-yl}pyridine

SMILES

Cc1cnc(-c2cccnc2)n1CCC1CCNCC1

InChI

InChI=1S/C16H22N4/c1-13-11-19-16(15-3-2-7-18-12-15)20(13)10-6-14-4-8-17-9-5-14/h2-3,7,11-12,14,17H,4-6,8-10H2,1H3

InChI Key

QUQVUQWJRUBGME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30466219

Chemical and Physical Properties

Saltdata

3HCl

Molecular Weight

270.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.839

Distribution Coefficient, logD

-1.939

Water Solubility, LogSw

-0.41

Polar Surface Area

32.801

Acid Dissociation Constant (pKa)

23.35

Base Dissociation Constant (pKb)

10.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S776-0005 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with S776-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S776-0005?
Check Price and Availability of S776-0005, 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 S776-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S776-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S776-0005
  • 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 S776-0005 available by request