E781-0448 Screening compound: 2-(4-{4-[(4-CHLOROPHENYL)AMINO]-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL}PIPERAZIN-1-YL)ETHAN-1-OL

E781-0448 Screening compound: 2-(4-{4-[(4-CHLOROPHENYL)AMINO]-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL}PIPERAZIN-1-YL)ETHAN-1-OL
E781-0448 Screening compound: 2-(4-{4-[(4-CHLOROPHENYL)AMINO]-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL}PIPERAZIN-1-YL)ETHAN-1-OL alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0448
2-(4-{4-[(4-CHLOROPHENYL)AMINO]-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL}PIPERAZIN-1-YL)ETHAN-1-OL

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

E781-0448

Molecular Formula

C18H22ClN7O (C18 H22 ClN7 O)

Compound Name

2-(4-{4-[(4-CHLOROPHENYL)AMINO]-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL}PIPERAZIN-1-YL)ETHAN-1-OL

IUPAC name

n/a

SMILES

Cn1ncc2c1nc(N1CCN(CCO)CC1)nc2Nc(cc1)ccc1Cl

InChI

InChI=1S/C18H22ClN7O/c1-24-17-15(12-20-24)16(21-14-4-2-13(19)3-5-14)22-18(23-17)26-8-6-25(7-9-26)10-11-27/h2-5,12,27H,6-11H2,1H3,(H,21,22,23)

InChI Key

ZYFOBURRNHWHQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06708232

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

2.684

Water Solubility, LogSw

-3.35

Polar Surface Area

66.036

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

E781-0448 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E781-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0448?
Check Price and Availability of E781-0448, 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 E781-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0448
  • 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 E781-0448 available by request