F946-0454 Screening compound: 6-[3-(azepane-1-sulfonyl)-4-methoxyphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydropyridazin-3-one

F946-0454 Screening compound: 6-[3-(azepane-1-sulfonyl)-4-methoxyphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydropyridazin-3-one
F946-0454 Screening compound: 6-[3-(azepane-1-sulfonyl)-4-methoxyphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F946-0454
6-[3-(azepane-1-sulfonyl)-4-methoxyphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydropyridazin-3-one

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

F946-0454

Molecular Formula

C22H26N4O5S (C22 H26 N4 O5 S)

Compound Name

6-[3-(azepane-1-sulfonyl)-4-methoxyphenyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydropyridazin-3-one

IUPAC name

6-[3-(azepane-1-sulfonyl)-4-methoxyphenyl]-2-(35-dimethyl-12-oxazol-4-yl)-23-dihydropyridazin-3-one

SMILES

Cc1noc(C)c1N(C(C=C1)=O)N=C1c(cc1)cc(S(N2CCCCCC2)(=O)=O)c1OC

InChI

InChI=1S/C22H26N4O5S/c1-15-22(16(2)31-24-15)26-21(27)11-9-18(23-26)17-8-10-19(30-3)20(14-17)32(28,29)25-12-6-4-5-7-13-25/h8-11,14H,4-7,12-13H2,1-3H3

InChI Key

PGDGSCCPBQBXPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27205540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.946

Distribution Coefficient, logD

2.946

Water Solubility, LogSw

-3.35

Polar Surface Area

88.237

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with F946-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F946-0454?
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What is the minimum amount of F946-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F946-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F946-0454
  • 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 F946-0454 available by request