F946-0434 Screening compound: N-cyclooctyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methoxybenzene-1-sulfonamide

F946-0434 Screening compound: N-cyclooctyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methoxybenzene-1-sulfonamide
F946-0434 Screening compound: N-cyclooctyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F946-0434
N-cyclooctyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methoxybenzene-1-sulfonamide

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

F946-0434

Molecular Formula

C24H30N4O5S (C24 H30 N4 O5 S)

Compound Name

N-cyclooctyl-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methoxybenzene-1-sulfonamide

IUPAC name

N-cyclooctyl-5-[1-(35-dimethyl-12-oxazol-4-yl)-6-oxo-16-dihydropyridazin-3-yl]-2-methoxybenzene-1-sulfonamide

SMILES

Cc1noc(C)c1N(C(C=C1)=O)N=C1c(cc1)cc(S(NC2CCCCCCC2)(=O)=O)c1OC

InChI

InChI=1S/C24H30N4O5S/c1-16-24(17(2)33-26-16)28-23(29)14-12-20(25-28)18-11-13-21(32-3)22(15-18)34(30,31)27-19-9-7-5-4-6-8-10-19/h11-15,19,27H,4-10H2,1-3H3

InChI Key

QYNDVBZXHLNJGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.233

Distribution Coefficient, logD

4.233

Water Solubility, LogSw

-4.35

Polar Surface Area

98.223

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

F946-0434 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F946-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F946-0434?
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What is the minimum amount of F946-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F946-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F946-0434
  • 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 F946-0434 available by request