E781-0021 Screening compound: 1-methyl-N4-phenyl-N6-propyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

E781-0021 Screening compound: 1-methyl-N4-phenyl-N6-propyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
E781-0021 Screening compound: 1-methyl-N4-phenyl-N6-propyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0021
1-methyl-N4-phenyl-N6-propyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

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

E781-0021

Molecular Formula

C15H18N6 (C15 H18 N6)

Compound Name

1-methyl-N4-phenyl-N6-propyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

IUPAC name

1-methyl-N4-phenyl-N6-propyl-1H-pyrazolo[34-d]pyrimidine-46-diamine

SMILES

CCCNc1nc(Nc2ccccc2)c(cnn2C)c2n1

InChI

InChI=1S/C15H18N6/c1-3-9-16-15-19-13(18-11-7-5-4-6-8-11)12-10-17-21(2)14(12)20-15/h4-8,10H,3,9H2,1-2H3,(H2,16,18,19,20)

InChI Key

VYVQXMIMUJKXHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06746000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.104

Distribution Coefficient, logD

3.093

Water Solubility, LogSw

-3.08

Polar Surface Area

54.692

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

E781-0021 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Fragments Library (11262 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E781-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0021?
Check Price and Availability of E781-0021, 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 E781-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0021
  • 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 E781-0021 available by request