E946-0848 Screening compound: ethyl 4-[({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate

E946-0848 Screening compound: ethyl 4-[({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
E946-0848 Screening compound: ethyl 4-[({1-[(2-chlorophenyl)methyl]piperidin-4-yl}methyl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E946-0848
ethyl 4-[({1-[(2-chlorophenyl)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

E946-0848

Molecular Formula

C24H29ClN4O3 (C24 H29 ClN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)oc2c1c(NCC1CCN(Cc(cccc3)c3Cl)CC1)nc(C)n2)=O

InChI

InChI=1S/C24H29ClN4O3/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

TVHXBBLPVJXSPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.97

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

4.681

Distribution Coefficient, logD

3.086

Water Solubility, LogSw

-4.94

Polar Surface Area

61.904

Acid Dissociation Constant (pKa)

16.54

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

E946-0848 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E946-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E946-0848?
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What is the minimum amount of E946-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E946-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E946-0848
  • 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 E946-0848 available by request