E939-0351 Screening compound: 3-(4-chlorophenyl)-N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

E939-0351 Screening compound: 3-(4-chlorophenyl)-N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
E939-0351 Screening compound: 3-(4-chlorophenyl)-N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E939-0351
3-(4-chlorophenyl)-N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

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

E939-0351

Molecular Formula

C25H26ClN5O (C25 H26 ClN5 O)

Compound Name

3-(4-chlorophenyl)-N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

IUPAC name

3-(4-chlorophenyl)-N-({1-[(2-methylphenyl)methyl]piperidin-4-yl}methyl)-[12]oxazolo[54-d]pyrimidin-4-amine

SMILES

Cc1c(CN2CCC(CNc3c(c(-c(cc4)ccc4Cl)no4)c4ncn3)CC2)cccc1

InChI

InChI=1S/C25H26ClN5O/c1-17-4-2-3-5-20(17)15-31-12-10-18(11-13-31)14-27-24-22-23(19-6-8-21(26)9-7-19)30-32-25(22)29-16-28-24/h2-9,16,18H,10-15H2,1H3,(H,27,28,29)

InChI Key

WCUZZWKJRAGGSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14928799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.775

Distribution Coefficient, logD

3.848

Water Solubility, LogSw

-6.29

Polar Surface Area

56.756

Acid Dissociation Constant (pKa)

18.07

Base Dissociation Constant (pKb)

9.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E939-0351 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Receptors Annotated Library (5376 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Selective Target Activity Profiling Library (14702 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:
  • Cancer
  • Nervous system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E939-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E939-0351?
Check Price and Availability of E939-0351, 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 E939-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E939-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E939-0351
  • 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 E939-0351 available by request