E946-0818 Screening compound: ethyl 4-[({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate

E946-0818 Screening compound: ethyl 4-[({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
E946-0818 Screening compound: ethyl 4-[({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E946-0818
ethyl 4-[({1-[(2-fluorophenyl)methyl]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

E946-0818

Molecular Formula

C24H29FN4O3 (C24 H29 FN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)oc2c1c(NCC1CCN(Cc(cccc3)c3F)CC1)nc(C)n2)=O

InChI

InChI=1S/C24H29FN4O3/c1-4-31-24(30)20-15(2)32-23-21(20)22(27-16(3)28-23)26-13-17-9-11-29(12-10-17)14-18-7-5-6-8-19(18)25/h5-8,17H,4,9-14H2,1-3H3,(H,26,27,28)

InChI Key

ISYLBJXGWMLWMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.338

Distribution Coefficient, logD

2.590

Water Solubility, LogSw

-4.48

Polar Surface Area

61.904

Acid Dissociation Constant (pKa)

16.54

Base Dissociation Constant (pKb)

9.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

E946-0818 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 E946-0818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E946-0818?
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What is the minimum amount of E946-0818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E946-0818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E946-0818
  • 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 E946-0818 available by request