E781-0661 Screening compound: N6-[(2-chlorophenyl)methyl]-N4-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

E781-0661 Screening compound: N6-[(2-chlorophenyl)methyl]-N4-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
E781-0661 Screening compound: N6-[(2-chlorophenyl)methyl]-N4-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0661
N6-[(2-chlorophenyl)methyl]-N4-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

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

E781-0661

Molecular Formula

C19H16ClFN6 (C19 H16 ClFN6)

Compound Name

N6-[(2-chlorophenyl)methyl]-N4-(4-fluorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

IUPAC name

N6-[(2-chlorophenyl)methyl]-N4-(4-fluorophenyl)-1-methyl-1H-pyrazolo[34-d]pyrimidine-46-diamine

SMILES

Cn1ncc2c(Nc(cc3)ccc3F)nc(NCc(cccc3)c3Cl)nc12

InChI

InChI=1S/C19H16ClFN6/c1-27-18-15(11-23-27)17(24-14-8-6-13(21)7-9-14)25-19(26-18)22-10-12-4-2-3-5-16(12)20/h2-9,11H,10H2,1H3,(H2,22,24,25,26)

InChI Key

BYBNXSHPCPJJSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06746204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.644

Distribution Coefficient, logD

4.621

Water Solubility, LogSw

-4.73

Polar Surface Area

54.579

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

E781-0661 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E781-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0661?
Check Price and Availability of E781-0661, 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 E781-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0661
  • 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 E781-0661 available by request