E947-0476 Screening compound: N-butyl-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

E947-0476 Screening compound: N-butyl-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide
E947-0476 Screening compound: N-butyl-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E947-0476
N-butyl-6-methyl-3-(2-methylpropyl)-4-oxo-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

E947-0476

Molecular Formula

C16H23N3O3 (C16 H23 N3 O3)

Compound Name

N-butyl-6-methyl-3-(2-methylpropyl)-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

IUPAC name

N-butyl-6-methyl-3-(2-methylpropyl)-4-oxo-3H4H-furo[23-d]pyrimidine-5-carboxamide

SMILES

CCCCNC(c1c(C)oc(N=CN2CC(C)C)c1C2=O)=O

InChI

InChI=1S/C16H23N3O3/c1-5-6-7-17-14(20)12-11(4)22-15-13(12)16(21)19(9-18-15)8-10(2)3/h9-10H,5-8H2,1-4H3,(H,17,20)

InChI Key

IDDWXDBTXXHWMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27093855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.087

Distribution Coefficient, logD

2.087

Water Solubility, LogSw

-2.30

Polar Surface Area

58.519

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

E947-0476 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E947-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E947-0476?
Check Price and Availability of E947-0476, 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 E947-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E947-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E947-0476
  • 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 E947-0476 available by request