E781-0659 Screening compound: N6-benzyl-N4-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

E781-0659 Screening compound: N6-benzyl-N4-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
E781-0659 Screening compound: N6-benzyl-N4-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0659
N6-benzyl-N4-(4-fluorophenyl)-1-methyl-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

E781-0659

Molecular Formula

C19H17FN6 (C19 H17 FN6)

Compound Name

N6-benzyl-N4-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

IUPAC name

N6-benzyl-N4-(4-fluorophenyl)-1-methyl-1H-pyrazolo[34-d]pyrimidine-46-diamine

SMILES

Cn1ncc2c1nc(NCc1ccccc1)nc2Nc(cc1)ccc1F

InChI

InChI=1S/C19H17FN6/c1-26-18-16(12-22-26)17(23-15-9-7-14(20)8-10-15)24-19(25-18)21-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H2,21,23,24,25)

InChI Key

OXUBYWDWRLBEPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06746202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.38

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

3.862

Distribution Coefficient, logD

3.839

Water Solubility, LogSw

-3.96

Polar Surface Area

54.579

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

E781-0659 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 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
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E781-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0659?
Check Price and Availability of E781-0659, 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 E781-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0659
  • 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 E781-0659 available by request