E781-0775 Screening compound: N6-[(2-chlorophenyl)methyl]-N4-(4-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

E781-0775 Screening compound: N6-[(2-chlorophenyl)methyl]-N4-(4-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
E781-0775 Screening compound: N6-[(2-chlorophenyl)methyl]-N4-(4-methoxyphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0775
N6-[(2-chlorophenyl)methyl]-N4-(4-methoxyphenyl)-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

E781-0775

Molecular Formula

C20H19ClN6O (C20 H19 ClN6 O)

Compound Name

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

IUPAC name

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

SMILES

Cn1ncc2c(Nc(cc3)ccc3OC)nc(NCc(cccc3)c3Cl)nc12

InChI

InChI=1S/C20H19ClN6O/c1-27-19-16(12-23-27)18(24-14-7-9-15(28-2)10-8-14)25-20(26-19)22-11-13-5-3-4-6-17(13)21/h3-10,12H,11H2,1-2H3,(H2,22,24,25,26)

InChI Key

GKOBXLIFSSHQBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06746245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.597

Distribution Coefficient, logD

4.574

Water Solubility, LogSw

-4.55

Polar Surface Area

62.123

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E781-0775 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with E781-0775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0775?
Check Price and Availability of E781-0775, 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 E781-0775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0775
  • 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 E781-0775 available by request