Y043-1727 Screening compound: 6-{2-[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}-4-methyl-2H-1,4-benzoxazin-3(4H)-one

Y043-1727 Screening compound: 6-{2-[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}-4-methyl-2H-1,4-benzoxazin-3(4H)-one
Y043-1727 Screening compound: 6-{2-[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}-4-methyl-2H-1,4-benzoxazin-3(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-1727
6-{2-[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}-4-methyl-2H-1,4-benzoxazin-3(4H)-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

Y043-1727

Molecular Formula

C21H16FN3O4 (C21 H16 FN3 O4)

Compound Name

6-{2-[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}-4-methyl-2H-1,4-benzoxazin-3(4H)-one

IUPAC name

6-{2-[3-(2-fluorophenyl)-6-oxo-16-dihydropyridazin-1-yl]acetyl}-4-methyl-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CN1c(cc(cc2)C(CN(C(C=C3)=O)N=C3c(cccc3)c3F)=O)c2OCC1=O

InChI

InChI=1S/C21H16FN3O4/c1-24-17-10-13(6-8-19(17)29-12-21(24)28)18(26)11-25-20(27)9-7-16(23-25)14-4-2-3-5-15(14)22/h2-10H,11-12H2,1H3

InChI Key

NNQGFSVQBVFWJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18798909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.873

Distribution Coefficient, logD

1.873

Water Solubility, LogSw

-2.80

Polar Surface Area

65.662

Acid Dissociation Constant (pKa)

15.62

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

References: we are preparing a list of scientific research reports with Y043-1727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-1727?
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What is the minimum amount of Y043-1727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-1727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-1727
  • 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 Y043-1727 available by request