F807-1413 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(2-methylpropane-2-sulfonyl)pyridazin-3-amine

F807-1413 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(2-methylpropane-2-sulfonyl)pyridazin-3-amine
F807-1413 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(2-methylpropane-2-sulfonyl)pyridazin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound F807-1413
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(2-methylpropane-2-sulfonyl)pyridazin-3-amine

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

F807-1413

Molecular Formula

C16H19N3O4S (C16 H19 N3 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(2-methylpropane-2-sulfonyl)pyridazin-3-amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-(2-methylpropane-2-sulfonyl)pyridazin-3-amine

SMILES

CC(C)(C)S(c(cc1)nnc1NCc(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C16H19N3O4S/c1-16(2,3)24(20,21)15-7-6-14(18-19-15)17-9-11-4-5-12-13(8-11)23-10-22-12/h4-8H,9-10H2,1-3H3,(H,17,18)

InChI Key

JXXFASKXVVCMOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.284

Distribution Coefficient, logD

2.284

Water Solubility, LogSw

-2.79

Polar Surface Area

79.446

Acid Dissociation Constant (pKa)

17.16

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

F807-1413 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F807-1413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F807-1413?
Check Price and Availability of F807-1413, 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 F807-1413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F807-1413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F807-1413
  • 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 F807-1413 available by request