F133-0087 Screening compound: N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}butanamide

F133-0087 Screening compound: N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}butanamide
F133-0087 Screening compound: N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F133-0087
N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}butanamide

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

F133-0087

Molecular Formula

C16H19N3O3S (C16 H19 N3 O3 S)

Compound Name

N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}butanamide

IUPAC name

N-{4-[6-(ethanesulfonyl)pyridazin-3-yl]phenyl}butanamide

SMILES

CCCC(Nc(cc1)ccc1-c(cc1)nnc1S(CC)(=O)=O)=O

InChI

InChI=1S/C16H19N3O3S/c1-3-5-15(20)17-13-8-6-12(7-9-13)14-10-11-16(19-18-14)23(21,22)4-2/h6-11H,3-5H2,1-2H3,(H,17,20)

InChI Key

KWCFWPLRHPTTEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08535166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-2.79

Polar Surface Area

73.670

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

F133-0087 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Targeted Diversity Library (40567 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with F133-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F133-0087?
Check Price and Availability of F133-0087, 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 F133-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F133-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F133-0087
  • 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 F133-0087 available by request