F946-0411 Screening compound: 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methoxy-N-[(pyridin-2-yl)methyl]benzene-1-sulfonamide

F946-0411 Screening compound: 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methoxy-N-[(pyridin-2-yl)methyl]benzene-1-sulfonamide
F946-0411 Screening compound: 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methoxy-N-[(pyridin-2-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F946-0411
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methoxy-N-[(pyridin-2-yl)methyl]benzene-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

F946-0411

Molecular Formula

C22H21N5O5S (C22 H21 N5 O5 S)

Compound Name

5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methoxy-N-[(pyridin-2-yl)methyl]benzene-1-sulfonamide

IUPAC name

5-[1-(35-dimethyl-12-oxazol-4-yl)-6-oxo-16-dihydropyridazin-3-yl]-2-methoxy-N-[(pyridin-2-yl)methyl]benzene-1-sulfonamide

SMILES

Cc1noc(C)c1N(C(C=C1)=O)N=C1c(cc1)cc(S(NCc2ncccc2)(=O)=O)c1OC

InChI

InChI=1S/C22H21N5O5S/c1-14-22(15(2)32-26-14)27-21(28)10-8-18(25-27)16-7-9-19(31-3)20(12-16)33(29,30)24-13-17-6-4-5-11-23-17/h4-12,24H,13H2,1-3H3

InChI Key

LNTDKFAJVZHYCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.972

Distribution Coefficient, logD

1.962

Water Solubility, LogSw

-2.74

Polar Surface Area

107.497

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F946-0411 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F946-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F946-0411?
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What is the minimum amount of F946-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F946-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F946-0411
  • 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 F946-0411 available by request