G414-0488 Screening compound: 1-methyl-N6-(3-methylbutyl)-N4-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

G414-0488 Screening compound: 1-methyl-N6-(3-methylbutyl)-N4-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
G414-0488 Screening compound: 1-methyl-N6-(3-methylbutyl)-N4-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G414-0488
1-methyl-N6-(3-methylbutyl)-N4-phenyl-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

G414-0488

Molecular Formula

C17H22N6 (C17 H22 N6)

Compound Name

1-methyl-N6-(3-methylbutyl)-N4-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

IUPAC name

1-methyl-N6-(3-methylbutyl)-N4-phenyl-1H-pyrazolo[34-d]pyrimidine-46-diamine

SMILES

CC(C)CCNc1nc(Nc2ccccc2)c(cnn2C)c2n1

InChI

InChI=1S/C17H22N6/c1-12(2)9-10-18-17-21-15(20-13-7-5-4-6-8-13)14-11-19-23(3)16(14)22-17/h4-8,11-12H,9-10H2,1-3H3,(H2,18,20,21,22)

InChI Key

NEXQBKNCNWBAMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27139892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.897

Water Solubility, LogSw

-3.86

Polar Surface Area

54.692

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G414-0488 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G414-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G414-0488?
Check Price and Availability of G414-0488, 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 G414-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G414-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G414-0488
  • 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 G414-0488 available by request