E781-0445 Screening compound: N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

E781-0445 Screening compound: N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
E781-0445 Screening compound: N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0445
N-(4-chlorophenyl)-1-methyl-6-(4-methylpiperidin-1-yl)-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

E781-0445

Molecular Formula

C18H21ClN6 (C18 H21 ClN6)

Compound Name

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

IUPAC name

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

SMILES

CC(CC1)CCN1c1nc(n(C)nc2)c2c(Nc(cc2)ccc2Cl)n1

InChI

InChI=1S/C18H21ClN6/c1-12-7-9-25(10-8-12)18-22-16(15-11-20-24(2)17(15)23-18)21-14-5-3-13(19)4-6-14/h3-6,11-12H,7-10H2,1-2H3,(H,21,22,23)

InChI Key

BJPUAVMDSVAFKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06746127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.817

Distribution Coefficient, logD

4.804

Water Solubility, LogSw

-4.82

Polar Surface Area

45.590

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E781-0445 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E781-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0445?
Check Price and Availability of E781-0445, 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 E781-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0445
  • 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 E781-0445 available by request