E959-1797 Screening compound: 6-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}furan-2-yl)-2,3-dihydropyridazin-3-one

E959-1797 Screening compound: 6-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}furan-2-yl)-2,3-dihydropyridazin-3-one
E959-1797 Screening compound: 6-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}furan-2-yl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E959-1797
6-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}furan-2-yl)-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

E959-1797

Molecular Formula

C15H17N3O6S (C15 H17 N3 O6 S)

Compound Name

6-(5-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}furan-2-yl)-2,3-dihydropyridazin-3-one

IUPAC name

6-(5-{14-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}furan-2-yl)-23-dihydropyridazin-3-one

SMILES

O=C(C=C1)NN=C1c(o1)ccc1S(N(CC1)CCC11OCCO1)(=O)=O

InChI

InChI=1S/C15H17N3O6S/c19-13-3-1-11(16-17-13)12-2-4-14(24-12)25(20,21)18-7-5-15(6-8-18)22-9-10-23-15/h1-4H,5-10H2,(H,17,19)

InChI Key

MKZKPNNJHNRBOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14933422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.146

Distribution Coefficient, logD

1.145

Water Solubility, LogSw

-2.28

Polar Surface Area

92.415

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

E959-1797 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E959-1797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E959-1797?
Check Price and Availability of E959-1797, 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 E959-1797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E959-1797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E959-1797
  • 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 E959-1797 available by request