3486-0502 Screening compound: 1-benzyl-N-(4-ethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

3486-0502 Screening compound: 1-benzyl-N-(4-ethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
3486-0502 Screening compound: 1-benzyl-N-(4-ethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3486-0502
1-benzyl-N-(4-ethoxyphenyl)-1H-pyrazolo[3,4-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

3486-0502

Molecular Formula

C20H19N5O (C20 H19 N5 O)

Compound Name

1-benzyl-N-(4-ethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

IUPAC name

1-benzyl-N-(4-ethoxyphenyl)-1H-pyrazolo[34-d]pyrimidin-4-amine

SMILES

CCOc(cc1)ccc1Nc1ncnc2c1cnn2Cc1ccccc1

InChI

InChI=1S/C20H19N5O/c1-2-26-17-10-8-16(9-11-17)24-19-18-12-23-25(20(18)22-14-21-19)13-15-6-4-3-5-7-15/h3-12,14H,2,13H2,1H3,(H,21,22,24)

InChI Key

UGBBSFFHIRXSLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02636133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.084

Distribution Coefficient, logD

4.082

Water Solubility, LogSw

-3.97

Polar Surface Area

51.015

Acid Dissociation Constant (pKa)

17.12

Base Dissociation Constant (pKb)

5.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3486-0502 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Adenosine Receptors Targeted Library (19896 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
  • 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 3486-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3486-0502?
Check Price and Availability of 3486-0502, 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 3486-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3486-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3486-0502
  • 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 3486-0502 available by request