G414-1614 Screening compound: N1,N6,6-trimethyl-N4-[(3-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

G414-1614 Screening compound: N1,N6,6-trimethyl-N4-[(3-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
G414-1614 Screening compound: N1,N6,6-trimethyl-N4-[(3-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G414-1614
N1,N6,6-trimethyl-N4-[(3-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

G414-1614

Molecular Formula

C16H20N6 (C16 H20 N6)

Compound Name

N1,N6,6-trimethyl-N4-[(3-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

IUPAC name

N1N66-trimethyl-N4-[(3-methylphenyl)methyl]-1H-pyrazolo[34-d]pyrimidine-46-diamine

SMILES

Cc1cccc(CNc2c(cnn3C)c3nc(N(C)C)n2)c1

InChI

InChI=1S/C16H20N6/c1-11-6-5-7-12(8-11)9-17-14-13-10-18-22(4)15(13)20-16(19-14)21(2)3/h5-8,10H,9H2,1-4H3,(H,17,19,20)

InChI Key

NYBFIJLSBQLWAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27140151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.062

Distribution Coefficient, logD

2.917

Water Solubility, LogSw

-2.81

Polar Surface Area

46.264

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

G414-1614 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G414-1614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G414-1614?
Check Price and Availability of G414-1614, 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 G414-1614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G414-1614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G414-1614
  • 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 G414-1614 available by request