E947-0073 Screening compound: 5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3,6-dimethyl-3H,4H-furo[2,3-d]pyrimidin-4-one

E947-0073 Screening compound: 5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3,6-dimethyl-3H,4H-furo[2,3-d]pyrimidin-4-one
E947-0073 Screening compound: 5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3,6-dimethyl-3H,4H-furo[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E947-0073
5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3,6-dimethyl-3H,4H-furo[2,3-d]pyrimidin-4-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

E947-0073

Molecular Formula

C16H19N3O5 (C16 H19 N3 O5)

Compound Name

5-{1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-3,6-dimethyl-3H,4H-furo[2,3-d]pyrimidin-4-one

IUPAC name

5-{14-dioxa-8-azaspiro[4.5]decane-8-carbonyl}-36-dimethyl-3H4H-furo[23-d]pyrimidin-4-one

SMILES

Cc1c(C(N(CC2)CCC22OCCO2)=O)c(C(N(C)C=N2)=O)c2o1

InChI

InChI=1S/C16H19N3O5/c1-10-11(12-13(24-10)17-9-18(2)14(12)20)15(21)19-5-3-16(4-6-19)22-7-8-23-16/h9H,3-8H2,1-2H3

InChI Key

CJWLDNVLXUSRLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27093629

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.605

Distribution Coefficient, logD

-0.605

Water Solubility, LogSw

-0.21

Polar Surface Area

64.793

Acid Dissociation Constant (pKa)

27.30

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

E947-0073 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E947-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E947-0073?
Check Price and Availability of E947-0073, 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 E947-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E947-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E947-0073
  • 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 E947-0073 available by request