F946-0506 Screening compound: 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide

F946-0506 Screening compound: 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide
F946-0506 Screening compound: 5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methoxy-N-[(oxolan-2-yl)methyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F946-0506
5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methoxy-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

F946-0506

Molecular Formula

C21H24N4O6S (C21 H24 N4 O6 S)

Compound Name

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

SMILES

Cc1noc(C)c1N(C(C=C1)=O)N=C1c(cc1)cc(S(NCC2OCCC2)(=O)=O)c1OC

InChI

InChI=1S/C21H24N4O6S/c1-13-21(14(2)31-24-13)25-20(26)9-7-17(23-25)15-6-8-18(29-3)19(11-15)32(27,28)22-12-16-5-4-10-30-16/h6-9,11,16,22H,4-5,10,12H2,1-3H3/t16-/m1/s1

InChI Key

NXCNIDPXZZUCDH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27205558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.51

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

1.654

Distribution Coefficient, logD

1.654

Water Solubility, LogSw

-2.63

Polar Surface Area

106.608

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

F946-0506 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F946-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F946-0506?
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What is the minimum amount of F946-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F946-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F946-0506
  • 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 F946-0506 available by request