E947-0063 Screening compound: 3,6-dimethyl-4-oxo-N-[(pyridin-3-yl)methyl]-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

E947-0063 Screening compound: 3,6-dimethyl-4-oxo-N-[(pyridin-3-yl)methyl]-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide
E947-0063 Screening compound: 3,6-dimethyl-4-oxo-N-[(pyridin-3-yl)methyl]-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E947-0063
3,6-dimethyl-4-oxo-N-[(pyridin-3-yl)methyl]-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

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

E947-0063

Molecular Formula

C15H14N4O3 (C15 H14 N4 O3)

Compound Name

3,6-dimethyl-4-oxo-N-[(pyridin-3-yl)methyl]-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

IUPAC name

36-dimethyl-4-oxo-N-[(pyridin-3-yl)methyl]-3H4H-furo[23-d]pyrimidine-5-carboxamide

SMILES

Cc1c(C(NCc2cnccc2)=O)c(C(N(C)C=N2)=O)c2o1

InChI

InChI=1S/C15H14N4O3/c1-9-11(12-14(22-9)18-8-19(2)15(12)21)13(20)17-7-10-4-3-5-16-6-10/h3-6,8H,7H2,1-2H3,(H,17,20)

InChI Key

MSYQFSYGHXFSOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27093623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.505

Distribution Coefficient, logD

-0.505

Water Solubility, LogSw

-0.78

Polar Surface Area

67.639

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E947-0063 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E947-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E947-0063?
Check Price and Availability of E947-0063, 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 E947-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E947-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E947-0063
  • 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 E947-0063 available by request