E781-0331 Screening compound: N-(4-chloro-2-methylphenyl)-1-methyl-6-(4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

E781-0331 Screening compound: N-(4-chloro-2-methylphenyl)-1-methyl-6-(4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
E781-0331 Screening compound: N-(4-chloro-2-methylphenyl)-1-methyl-6-(4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0331
N-(4-chloro-2-methylphenyl)-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

E781-0331

Molecular Formula

C19H23ClN6 (C19 H23 ClN6)

Compound Name

N-(4-chloro-2-methylphenyl)-1-methyl-6-(4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

IUPAC name

N-(4-chloro-2-methylphenyl)-1-methyl-6-(4-methylpiperidin-1-yl)-1H-pyrazolo[34-d]pyrimidin-4-amine

SMILES

CC(CC1)CCN1c1nc(n(C)nc2)c2c(Nc(cc2)c(C)cc2Cl)n1

InChI

InChI=1S/C19H23ClN6/c1-12-6-8-26(9-7-12)19-23-17(15-11-21-25(3)18(15)24-19)22-16-5-4-14(20)10-13(16)2/h4-5,10-12H,6-9H2,1-3H3,(H,22,23,24)

InChI Key

REASDZIXGCBLDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06746090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.88

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

5.400

Distribution Coefficient, logD

5.386

Water Solubility, LogSw

-6.04

Polar Surface Area

44.892

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

E781-0331 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E781-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0331?
Check Price and Availability of E781-0331, 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 E781-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0331
  • 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 E781-0331 available by request