E781-0670 Screening compound: 6-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

E781-0670 Screening compound: 6-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
E781-0670 Screening compound: 6-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0670
6-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)-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

E781-0670

Molecular Formula

C18H21FN6O (C18 H21 FN6 O)

Compound Name

6-(2,6-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

IUPAC name

6-(26-dimethylmorpholin-4-yl)-N-(4-fluorophenyl)-1-methyl-1H-pyrazolo[34-d]pyrimidin-4-amine

SMILES

CC(C1)OC(C)CN1c1nc(n(C)nc2)c2c(Nc(cc2)ccc2F)n1

InChI

InChI=1S/C18H21FN6O/c1-11-9-25(10-12(2)26-11)18-22-16(15-8-20-24(3)17(15)23-18)21-14-6-4-13(19)5-7-14/h4-8,11-12H,9-10H2,1-3H3,(H,21,22,23)

InChI Key

INTYUQRHVKZVMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06746212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.151

Distribution Coefficient, logD

3.151

Water Solubility, LogSw

-3.24

Polar Surface Area

52.522

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.90

E781-0670 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E781-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0670?
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What is the minimum amount of E781-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0670
  • 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 E781-0670 available by request