E781-0052 Screening compound: 6-[4-(3-chlorophenyl)piperazin-1-yl]-1-methyl-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

E781-0052 Screening compound: 6-[4-(3-chlorophenyl)piperazin-1-yl]-1-methyl-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
E781-0052 Screening compound: 6-[4-(3-chlorophenyl)piperazin-1-yl]-1-methyl-N-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0052
6-[4-(3-chlorophenyl)piperazin-1-yl]-1-methyl-N-phenyl-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

E781-0052

Molecular Formula

C22H22ClN7 (C22 H22 ClN7)

Compound Name

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

IUPAC name

6-[4-(3-chlorophenyl)piperazin-1-yl]-1-methyl-N-phenyl-1H-pyrazolo[34-d]pyrimidin-4-amine

SMILES

Cn1ncc2c(Nc3ccccc3)nc(N(CC3)CCN3c3cccc(Cl)c3)nc12

InChI

InChI=1S/C22H22ClN7/c1-28-21-19(15-24-28)20(25-17-7-3-2-4-8-17)26-22(27-21)30-12-10-29(11-13-30)18-9-5-6-16(23)14-18/h2-9,14-15H,10-13H2,1H3,(H,25,26,27)

InChI Key

GYYBEFOGSSWZLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06708109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.92

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

4.919

Distribution Coefficient, logD

4.910

Water Solubility, LogSw

-4.88

Polar Surface Area

48.850

Acid Dissociation Constant (pKa)

16.70

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E781-0052 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 E781-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0052?
Check Price and Availability of E781-0052, 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 E781-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0052
  • 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 E781-0052 available by request