S847-0010 Screening compound: 6-(3-aminopyrrolidin-1-yl)-2-(2-phenoxyethyl)-2,3-dihydropyridazin-3-one

S847-0010 Screening compound: 6-(3-aminopyrrolidin-1-yl)-2-(2-phenoxyethyl)-2,3-dihydropyridazin-3-one
S847-0010 Screening compound: 6-(3-aminopyrrolidin-1-yl)-2-(2-phenoxyethyl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S847-0010
6-(3-aminopyrrolidin-1-yl)-2-(2-phenoxyethyl)-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

S847-0010

Molecular Formula

C16H20N4O2 (C16 H20 N4 O2)

Compound Name

6-(3-aminopyrrolidin-1-yl)-2-(2-phenoxyethyl)-2,3-dihydropyridazin-3-one

IUPAC name

6-(3-aminopyrrolidin-1-yl)-2-(2-phenoxyethyl)-23-dihydropyridazin-3-one

SMILES

NC(CC1)CN1C(C=C1)=NN(CCOc2ccccc2)C1=O

InChI

InChI=1S/C16H20N4O2/c17-13-8-9-19(12-13)15-6-7-16(21)20(18-15)10-11-22-14-4-2-1-3-5-14/h1-7,13H,8-12,17H2/t13-/m1/s1

InChI Key

VIIKXZYGQHOMHW-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD30466224

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

300.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.764

Distribution Coefficient, logD

-1.044

Water Solubility, LogSw

-1.14

Polar Surface Area

59.594

Acid Dissociation Constant (pKa)

24.42

Base Dissociation Constant (pKb)

9.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

S847-0010 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S847-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S847-0010?
Check Price and Availability of S847-0010, 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 S847-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S847-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S847-0010
  • 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 S847-0010 available by request