Y043-5229 Screening compound: 1-(6-chloro-3-pyridazinyl)-N~4~-[2-(1H-imidazol-4-yl)ethyl]-4-piperidinecarboxamide

Y043-5229 Screening compound: 1-(6-chloro-3-pyridazinyl)-N~4~-[2-(1H-imidazol-4-yl)ethyl]-4-piperidinecarboxamide
Y043-5229 Screening compound: 1-(6-chloro-3-pyridazinyl)-N~4~-[2-(1H-imidazol-4-yl)ethyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5229
1-(6-chloro-3-pyridazinyl)-N~4~-[2-(1H-imidazol-4-yl)ethyl]-4-piperidinecarboxamide

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

Y043-5229

Molecular Formula

C15H19ClN6O (C15 H19 ClN6 O)

Compound Name

1-(6-chloro-3-pyridazinyl)-N~4~-[2-(1H-imidazol-4-yl)ethyl]-4-piperidinecarboxamide

IUPAC name

1-(6-chloropyridazin-3-yl)-N-[2-(1H-imidazol-4-yl)ethyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c(cc1)nnc1Cl)NCCc1c[nH]cn1

InChI

InChI=1S/C15H19ClN6O/c16-13-1-2-14(21-20-13)22-7-4-11(5-8-22)15(23)18-6-3-12-9-17-10-19-12/h1-2,9-11H,3-8H2,(H,17,19)(H,18,23)

InChI Key

ZECQWCJVJMVQBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28368475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.472

Distribution Coefficient, logD

0.374

Water Solubility, LogSw

-2.19

Polar Surface Area

70.813

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

Y043-5229 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y043-5229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5229?
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What is the minimum amount of Y043-5229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5229
  • 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 Y043-5229 available by request