3486-0358 Screening compound: N-(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(3-methylphenyl)amine

3486-0358 Screening compound: N-(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(3-methylphenyl)amine
3486-0358 Screening compound: N-(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(3-methylphenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3486-0358
N-(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(3-methylphenyl)amine

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

3486-0358

Molecular Formula

C19H17N5 (C19 H17 N5)

Compound Name

N-(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-N-(3-methylphenyl)amine

IUPAC name

n/a

SMILES

Cc1cccc(Nc2ncnc3c2cnn3Cc2ccccc2)c1

InChI

InChI=1S/C19H17N5/c1-14-6-5-9-16(10-14)23-18-17-11-22-24(19(17)21-13-20-18)12-15-7-3-2-4-8-15/h2-11,13H,12H2,1H3,(H,20,21,23)

InChI Key

ZMTDRKIXLMJGLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02635289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.075

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.09

Polar Surface Area

43.891

Acid Dissociation Constant (pKa)

17.63

Base Dissociation Constant (pKb)

5.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

3486-0358 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3486-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3486-0358?
Check Price and Availability of 3486-0358, 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 3486-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3486-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3486-0358
  • 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 3486-0358 available by request