S849-0003 Screening compound: 6-(3-aminopiperidin-1-yl)-2-ethyl-2,3-dihydropyridazin-3-one

S849-0003 Screening compound: 6-(3-aminopiperidin-1-yl)-2-ethyl-2,3-dihydropyridazin-3-one
S849-0003 Screening compound: 6-(3-aminopiperidin-1-yl)-2-ethyl-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S849-0003
6-(3-aminopiperidin-1-yl)-2-ethyl-2,3-dihydropyridazin-3-one

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

S849-0003

Molecular Formula

C11H18N4O (C11 H18 N4 O)

Compound Name

6-(3-aminopiperidin-1-yl)-2-ethyl-2,3-dihydropyridazin-3-one

IUPAC name

6-(3-aminopiperidin-1-yl)-2-ethyl-23-dihydropyridazin-3-one

SMILES

CCN(C(C=C1)=O)N=C1N(CCC1)CC1N

InChI

InChI=1S/C11H18N4O/c1-2-15-11(16)6-5-10(13-15)14-7-3-4-9(12)8-14/h5-6,9H,2-4,7-8,12H2,1H3/t9-/m0/s1

InChI Key

PMYMSMAEVFJLRR-VIFPVBQESA-N

MDL Number (MFCD)

MFCD30458160

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

222.29

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.278

Distribution Coefficient, logD

-2.707

Water Solubility, LogSw

0.01

Polar Surface Area

51.828

Acid Dissociation Constant (pKa)

24.89

Base Dissociation Constant (pKb)

9.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

S849-0003 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S849-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S849-0003?
Check Price and Availability of S849-0003, 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 S849-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S849-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S849-0003
  • 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 S849-0003 available by request