E947-0078 Screening compound: ethyl 2-{3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-amido}benzoate

E947-0078 Screening compound: ethyl 2-{3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-amido}benzoate
E947-0078 Screening compound: ethyl 2-{3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E947-0078
ethyl 2-{3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-amido}benzoate

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

E947-0078

Molecular Formula

C18H17N3O5 (C18 H17 N3 O5)

Compound Name

ethyl 2-{3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-amido}benzoate

IUPAC name

ethyl 2-{36-dimethyl-4-oxo-3H4H-furo[23-d]pyrimidine-5-amido}benzoate

SMILES

CCOC(c(cccc1)c1NC(c1c(C)oc(N=CN2C)c1C2=O)=O)=O

InChI

InChI=1S/C18H17N3O5/c1-4-25-18(24)11-7-5-6-8-12(11)20-15(22)13-10(2)26-16-14(13)17(23)21(3)9-19-16/h5-9H,4H2,1-3H3,(H,20,22)

InChI Key

APSIAQSBQNFYAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27093633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.650

Distribution Coefficient, logD

1.169

Water Solubility, LogSw

-2.51

Polar Surface Area

76.855

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E947-0078 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

PI3K-Targeted Library (17255 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E947-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E947-0078?
Check Price and Availability of E947-0078, 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 E947-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E947-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E947-0078
  • 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 E947-0078 available by request