E781-0281 Screening compound: N-(3-chloro-4-methoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

E781-0281 Screening compound: N-(3-chloro-4-methoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
E781-0281 Screening compound: N-(3-chloro-4-methoxyphenyl)-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 E781-0281
N-(3-chloro-4-methoxyphenyl)-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

E781-0281

Molecular Formula

C23H23ClFN7O (C23 H23 ClFN7 O)

Compound Name

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

IUPAC name

N-(3-chloro-4-methoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-1H-pyrazolo[34-d]pyrimidin-4-amine

SMILES

Cn1ncc2c1nc(N(CC1)CCN1c(cc1)ccc1F)nc2Nc(cc1)cc(Cl)c1OC

InChI

InChI=1S/C23H23ClFN7O/c1-30-22-18(14-26-30)21(27-16-5-8-20(33-2)19(24)13-16)28-23(29-22)32-11-9-31(10-12-32)17-6-3-15(25)4-7-17/h3-8,13-14H,9-12H2,1-2H3,(H,27,28,29)

InChI Key

OBFQJVGXMPSEPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06708188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.188

Distribution Coefficient, logD

5.179

Water Solubility, LogSw

-5.76

Polar Surface Area

56.480

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E781-0281 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E781-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0281?
Check Price and Availability of E781-0281, 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 E781-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0281
  • 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 E781-0281 available by request