Y041-0517 Screening compound: 2-[2-(azepan-1-yl)-2-oxoethyl]-6-(2-fluoro-4-methoxyphenyl)-2,3-dihydropyridazin-3-one

Y041-0517 Screening compound: 2-[2-(azepan-1-yl)-2-oxoethyl]-6-(2-fluoro-4-methoxyphenyl)-2,3-dihydropyridazin-3-one
Y041-0517 Screening compound: 2-[2-(azepan-1-yl)-2-oxoethyl]-6-(2-fluoro-4-methoxyphenyl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0517
2-[2-(azepan-1-yl)-2-oxoethyl]-6-(2-fluoro-4-methoxyphenyl)-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

Y041-0517

Molecular Formula

C19H22FN3O3 (C19 H22 FN3 O3)

Compound Name

2-[2-(azepan-1-yl)-2-oxoethyl]-6-(2-fluoro-4-methoxyphenyl)-2,3-dihydropyridazin-3-one

IUPAC name

2-[2-(azepan-1-yl)-2-oxoethyl]-6-(2-fluoro-4-methoxyphenyl)-23-dihydropyridazin-3-one

SMILES

COc(cc1)cc(F)c1C(C=C1)=NN(CC(N2CCCCCC2)=O)C1=O

InChI

InChI=1S/C19H22FN3O3/c1-26-14-6-7-15(16(20)12-14)17-8-9-18(24)23(21-17)13-19(25)22-10-4-2-3-5-11-22/h6-9,12H,2-5,10-11,13H2,1H3

InChI Key

HSXPOIKJMQCQQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18798392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.763

Distribution Coefficient, logD

2.763

Water Solubility, LogSw

-3.15

Polar Surface Area

52.815

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

Y041-0517 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 Y041-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0517?
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What is the minimum amount of Y041-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0517
  • 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 Y041-0517 available by request