E781-0677 Screening compound: 6-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

E781-0677 Screening compound: 6-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
E781-0677 Screening compound: 6-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0677
6-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)-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

E781-0677

Molecular Formula

C23H24FN7 (C23 H24 FN7)

Compound Name

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

IUPAC name

n/a

SMILES

Cn1ncc2c1nc(N1CCN(Cc3ccccc3)CC1)nc2Nc(cc1)ccc1F

InChI

InChI=1S/C23H24FN7/c1-29-22-20(15-25-29)21(26-19-9-7-18(24)8-10-19)27-23(28-22)31-13-11-30(12-14-31)16-17-5-3-2-4-6-17/h2-10,15H,11-14,16H2,1H3,(H,26,27,28)

InChI Key

MHININBZRWUWLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06746219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.237

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-4.01

Polar Surface Area

49.130

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E781-0677 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 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

References: we are preparing a list of scientific research reports with E781-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0677?
Check Price and Availability of E781-0677, 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 E781-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0677
  • 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 E781-0677 available by request