G414-0608 Screening compound: N4-[(4-chlorophenyl)methyl]-1-methyl-N6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

G414-0608 Screening compound: N4-[(4-chlorophenyl)methyl]-1-methyl-N6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
G414-0608 Screening compound: N4-[(4-chlorophenyl)methyl]-1-methyl-N6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G414-0608
N4-[(4-chlorophenyl)methyl]-1-methyl-N6-[(4-methylphenyl)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

G414-0608

Molecular Formula

C21H21ClN6 (C21 H21 ClN6)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNc2nc(n(C)nc3)c3c(NCc(cc3)ccc3Cl)n2)cc1

InChI

InChI=1S/C21H21ClN6/c1-14-3-5-15(6-4-14)12-24-21-26-19(18-13-25-28(2)20(18)27-21)23-11-16-7-9-17(22)10-8-16/h3-10,13H,11-12H2,1-2H3,(H2,23,24,26,27)

InChI Key

ABLAJWXXSNBZDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27139928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.89

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

4.421

Distribution Coefficient, logD

4.294

Water Solubility, LogSw

-4.46

Polar Surface Area

55.901

Acid Dissociation Constant (pKa)

15.41

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G414-0608 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G414-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G414-0608?
Check Price and Availability of G414-0608, 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 G414-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G414-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G414-0608
  • 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 G414-0608 available by request