S776-0723 Screening compound: 4-[2-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-cyclopentanecarbonylpiperidine

S776-0723 Screening compound: 4-[2-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-cyclopentanecarbonylpiperidine
S776-0723 Screening compound: 4-[2-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-cyclopentanecarbonylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound S776-0723
4-[2-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-cyclopentanecarbonylpiperidine

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

S776-0723

Molecular Formula

C21H33N3O (C21 H33 N3 O)

Compound Name

4-[2-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-cyclopentanecarbonylpiperidine

IUPAC name

4-[2-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)ethyl]-1-cyclopentanecarbonylpiperidine

SMILES

Cc1cnc(C2CCC2)n1CCC(CC1)CCN1C(C1CCCC1)=O

InChI

InChI=1S/C21H33N3O/c1-16-15-22-20(18-7-4-8-18)24(16)14-11-17-9-12-23(13-10-17)21(25)19-5-2-3-6-19/h15,17-19H,2-14H2,1H3

InChI Key

JYFKZCQYSHZFIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32227754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.790

Distribution Coefficient, logD

1.504

Water Solubility, LogSw

-3.81

Polar Surface Area

28.860

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

9.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.95

S776-0723 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S776-0723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S776-0723?
Check Price and Availability of S776-0723, 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 S776-0723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S776-0723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S776-0723
  • 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 S776-0723 available by request