F946-0113 Screening compound: 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

F946-0113 Screening compound: 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
F946-0113 Screening compound: 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methyl-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F946-0113
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methyl-N-[(oxolan-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

F946-0113

Molecular Formula

C21H24N4O5S (C21 H24 N4 O5 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(C)c1N(C(C=C1)=O)N=C1c1cc(S(NCC2OCCC2)(=O)=O)c(C)cc1

InChI

InChI=1S/C21H24N4O5S/c1-13-6-7-16(11-19(13)31(27,28)22-12-17-5-4-10-29-17)18-8-9-20(26)25(23-18)21-14(2)24-30-15(21)3/h6-9,11,17,22H,4-5,10,12H2,1-3H3/t17-/m1/s1

InChI Key

VQKOZQAONJMCRN-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27205466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

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

2.195

Distribution Coefficient, logD

2.194

Water Solubility, LogSw

-2.75

Polar Surface Area

98.977

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

F946-0113 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F946-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F946-0113?
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What is the minimum amount of F946-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F946-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F946-0113
  • 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 F946-0113 available by request