E781-0240 Screening compound: N4-(3-chloro-4-methoxyphenyl)-N6-(3,4-dimethylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

E781-0240 Screening compound: N4-(3-chloro-4-methoxyphenyl)-N6-(3,4-dimethylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
E781-0240 Screening compound: N4-(3-chloro-4-methoxyphenyl)-N6-(3,4-dimethylphenyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0240
N4-(3-chloro-4-methoxyphenyl)-N6-(3,4-dimethylphenyl)-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

E781-0240

Molecular Formula

C21H21ClN6O (C21 H21 ClN6 O)

Compound Name

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

IUPAC name

N4-(3-chloro-4-methoxyphenyl)-N6-(34-dimethylphenyl)-1-methyl-1H-pyrazolo[34-d]pyrimidine-46-diamine

SMILES

Cc(cc1)c(C)cc1Nc1nc(n(C)nc2)c2c(Nc(cc2)cc(Cl)c2OC)n1

InChI

InChI=1S/C21H21ClN6O/c1-12-5-6-14(9-13(12)2)25-21-26-19(16-11-23-28(3)20(16)27-21)24-15-7-8-18(29-4)17(22)10-15/h5-11H,1-4H3,(H2,24,25,26,27)

InChI Key

VRIGXQUOAXHRPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06708164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.794

Distribution Coefficient, logD

5.650

Water Solubility, LogSw

-6.13

Polar Surface Area

60.887

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E781-0240 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

Autophagy-Targeted Library (4564 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Kinases
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E781-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0240?
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What is the minimum amount of E781-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0240
  • 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 E781-0240 available by request