L009-0171 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(piperidin-1-yl)pyridazin-3-yl]benzamide

L009-0171 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(piperidin-1-yl)pyridazin-3-yl]benzamide
L009-0171 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(piperidin-1-yl)pyridazin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L009-0171
N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(piperidin-1-yl)pyridazin-3-yl]benzamide

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

L009-0171

Molecular Formula

C24H30N4O (C24 H30 N4 O)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(piperidin-1-yl)pyridazin-3-yl]benzamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-3-[6-(piperidin-1-yl)pyridazin-3-yl]benzamide

SMILES

O=C(c1cc(-c(cc2)nnc2N2CCCCC2)ccc1)NCCC1=CCCCC1

InChI

InChI=1S/C24H30N4O/c29-24(25-15-14-19-8-3-1-4-9-19)21-11-7-10-20(18-21)22-12-13-23(27-26-22)28-16-5-2-6-17-28/h7-8,10-13,18H,1-6,9,14-17H2,(H,25,29)

InChI Key

BVOMAPAIDFVDNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15116362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.354

Distribution Coefficient, logD

4.353

Water Solubility, LogSw

-4.21

Polar Surface Area

49.073

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

L009-0171 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)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with L009-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L009-0171?
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What is the minimum amount of L009-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L009-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L009-0171
  • 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 L009-0171 available by request