E781-0680 Screening compound: N-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

E781-0680 Screening compound: N-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
E781-0680 Screening compound: N-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0680
N-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-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

E781-0680

Molecular Formula

C22H21F2N7 (C22 H21 F2 N7)

Compound Name

N-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

IUPAC name

N-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1H-pyrazolo[34-d]pyrimidin-4-amine

SMILES

Cn1ncc2c(Nc(cc3)ccc3F)nc(N(CC3)CCN3c(cc3)ccc3F)nc12

InChI

InChI=1S/C22H21F2N7/c1-29-21-19(14-25-29)20(26-17-6-2-15(23)3-7-17)27-22(28-21)31-12-10-30(11-13-31)18-8-4-16(24)5-9-18/h2-9,14H,10-13H2,1H3,(H,26,27,28)

InChI Key

LBJIAISWCLQLQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06746222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.707

Distribution Coefficient, logD

4.698

Water Solubility, LogSw

-4.26

Polar Surface Area

48.850

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E781-0680 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Autophagy-Targeted Library (4564 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 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
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with E781-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0680?
Check Price and Availability of E781-0680, 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 E781-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0680
  • 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 E781-0680 available by request