Y041-0968 Screening compound: N-cyclopentyl-2-[3-(furan-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide

Y041-0968 Screening compound: N-cyclopentyl-2-[3-(furan-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide
Y041-0968 Screening compound: N-cyclopentyl-2-[3-(furan-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0968
N-cyclopentyl-2-[3-(furan-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide

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

Y041-0968

Molecular Formula

C15H17N3O3 (C15 H17 N3 O3)

Compound Name

N-cyclopentyl-2-[3-(furan-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide

IUPAC name

N-cyclopentyl-2-[3-(furan-2-yl)-6-oxo-16-dihydropyridazin-1-yl]acetamide

SMILES

O=C(CN(C(C=C1)=O)N=C1c1ccco1)NC1CCCC1

InChI

InChI=1S/C15H17N3O3/c19-14(16-11-4-1-2-5-11)10-18-15(20)8-7-12(17-18)13-6-3-9-21-13/h3,6-9,11H,1-2,4-5,10H2,(H,16,19)

InChI Key

NHAMSEDRRQSVFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08039629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.450

Distribution Coefficient, logD

1.450

Water Solubility, LogSw

-1.98

Polar Surface Area

61.689

Acid Dissociation Constant (pKa)

16.80

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y041-0968 in Drug Discovery

Included in Screening Libraries

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0968?
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What is the minimum amount of Y041-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0968
  • 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 Y041-0968 available by request