G414-1536 Screening compound: N-(2,5-DIMETHOXYBENZYL)-N-{6-[(1,4-DIOXAN-2-YLMETHYL)AMINO]-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL}AMINE

G414-1536 Screening compound: N-(2,5-DIMETHOXYBENZYL)-N-{6-[(1,4-DIOXAN-2-YLMETHYL)AMINO]-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL}AMINE
G414-1536 Screening compound: N-(2,5-DIMETHOXYBENZYL)-N-{6-[(1,4-DIOXAN-2-YLMETHYL)AMINO]-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL}AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound G414-1536
N-(2,5-DIMETHOXYBENZYL)-N-{6-[(1,4-DIOXAN-2-YLMETHYL)AMINO]-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL}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

G414-1536

Molecular Formula

C20H26N6O4 (C20 H26 N6 O4)

Compound Name

N-(2,5-DIMETHOXYBENZYL)-N-{6-[(1,4-DIOXAN-2-YLMETHYL)AMINO]-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL}AMINE

IUPAC name

n/a

SMILES

Cn1ncc2c(NCc(cc(cc3)OC)c3OC)nc(NCC3OCCOC3)nc12

InChI

InChI=1S/C20H26N6O4/c1-26-19-16(11-23-26)18(21-9-13-8-14(27-2)4-5-17(13)28-3)24-20(25-19)22-10-15-12-29-6-7-30-15/h4-5,8,11,15H,6-7,9-10,12H2,1-3H3,(H2,21,22,24,25)/t15-/m0/s1

InChI Key

WQGVYYIGXZSKJN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27140123

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.770

Distribution Coefficient, logD

1.764

Water Solubility, LogSw

-2.13

Polar Surface Area

87.770

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

5.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

G414-1536 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G414-1536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G414-1536?
Check Price and Availability of G414-1536, 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 G414-1536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G414-1536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G414-1536
  • 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 G414-1536 available by request