Y043-0957 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[3-(2-furyl)-6-oxo-1(6H)-pyridazinyl]-N-isobutylacetamide

Y043-0957 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[3-(2-furyl)-6-oxo-1(6H)-pyridazinyl]-N-isobutylacetamide
Y043-0957 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[3-(2-furyl)-6-oxo-1(6H)-pyridazinyl]-N-isobutylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-0957
N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[3-(2-furyl)-6-oxo-1(6H)-pyridazinyl]-N-isobutylacetamide

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

Y043-0957

Molecular Formula

C18H23N3O5S (C18 H23 N3 O5 S)

Compound Name

N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-[3-(2-furyl)-6-oxo-1(6H)-pyridazinyl]-N-isobutylacetamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-2-[3-(furan-2-yl)-6-oxo-16-dihydropyridazin-1-yl]-N-(2-methylpropyl)acetamide

SMILES

CC(C)CN(C(CC1)CS1(=O)=O)C(CN(C(C=C1)=O)N=C1c1ccco1)=O

InChI

InChI=1S/C18H23N3O5S/c1-13(2)10-20(14-7-9-27(24,25)12-14)18(23)11-21-17(22)6-5-15(19-21)16-4-3-8-26-16/h3-6,8,13-14H,7,9-12H2,1-2H3/t14-/m1/s1

InChI Key

FTULZJPBHURFDI-CQSZACIVSA-N

MDL Number (MFCD)

MFCD16623543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.669

Distribution Coefficient, logD

0.669

Water Solubility, LogSw

-1.95

Polar Surface Area

80.763

Acid Dissociation Constant (pKa)

19.47

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

Y043-0957 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 Y043-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-0957?
Check Price and Availability of Y043-0957, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y043-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-0957
  • 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 Y043-0957 available by request