E946-0849 Screening compound: ethyl 4-[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate

E946-0849 Screening compound: ethyl 4-[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
E946-0849 Screening compound: ethyl 4-[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E946-0849
ethyl 4-[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate

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

E946-0849

Molecular Formula

C25H31FN4O3 (C25 H31 FN4 O3)

Compound Name

ethyl 4-[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate

IUPAC name

ethyl 4-[({1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl}methyl)amino]-26-dimethylfuro[23-d]pyrimidine-5-carboxylate

SMILES

CCOC(c1c(C)oc2c1c(NCC1CCN(CCc(cc3)ccc3F)CC1)nc(C)n2)=O

InChI

InChI=1S/C25H31FN4O3/c1-4-32-25(31)21-16(2)33-24-22(21)23(28-17(3)29-24)27-15-19-10-13-30(14-11-19)12-9-18-5-7-20(26)8-6-18/h5-8,19H,4,9-15H2,1-3H3,(H,27,28,29)

InChI Key

LUCGVXBPKCWBCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.329

Distribution Coefficient, logD

1.890

Water Solubility, LogSw

-4.59

Polar Surface Area

61.882

Acid Dissociation Constant (pKa)

16.54

Base Dissociation Constant (pKb)

9.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

E946-0849 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 E946-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E946-0849?
Check Price and Availability of E946-0849, 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 E946-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E946-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E946-0849
  • 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 E946-0849 available by request