E781-0190 Screening compound: N4-(3-chloro-4-methylphenyl)-N1,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

E781-0190 Screening compound: N4-(3-chloro-4-methylphenyl)-N1,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
E781-0190 Screening compound: N4-(3-chloro-4-methylphenyl)-N1,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound E781-0190
N4-(3-chloro-4-methylphenyl)-N1,6-dimethyl-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

E781-0190

Molecular Formula

C14H15ClN6 (C14 H15 ClN6)

Compound Name

N4-(3-chloro-4-methylphenyl)-N1,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

IUPAC name

N4-(3-chloro-4-methylphenyl)-N16-dimethyl-1H-pyrazolo[34-d]pyrimidine-46-diamine

SMILES

Cc(ccc(Nc1nc(NC)nc2c1cnn2C)c1)c1Cl

InChI

InChI=1S/C14H15ClN6/c1-8-4-5-9(6-11(8)15)18-12-10-7-17-21(3)13(10)20-14(16-2)19-12/h4-7H,1-3H3,(H2,16,18,19,20)

InChI Key

PDXZLMVSGGBMDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06708135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.77

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.787

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-4.05

Polar Surface Area

55.001

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E781-0190 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E781-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E781-0190?
Check Price and Availability of E781-0190, 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 E781-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E781-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E781-0190
  • 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 E781-0190 available by request