8005-5904 Screening compound: N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(3-pyridylmethyl)amine

8005-5904 Screening compound: N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(3-pyridylmethyl)amine
8005-5904 Screening compound: N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(3-pyridylmethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5904
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(3-pyridylmethyl)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

8005-5904

Molecular Formula

C11H13N5O2 (C11 H13 N5 O2)

Compound Name

N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-(3-pyridylmethyl)amine

IUPAC name

46-dimethoxy-N-[(pyridin-3-yl)methyl]-135-triazin-2-amine

SMILES

COc1nc(NCc2cnccc2)nc(OC)n1

InChI

InChI=1S/C11H13N5O2/c1-17-10-14-9(15-11(16-10)18-2)13-7-8-4-3-5-12-6-8/h3-6H,7H2,1-2H3,(H,13,14,15,16)

InChI Key

QHFGJHLZFMKUSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00760977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.582

Distribution Coefficient, logD

1.518

Water Solubility, LogSw

-1.13

Polar Surface Area

65.681

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

8005-5904 in Drug Discovery

Included in Screening Libraries

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-5904 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5904?
Check Price and Availability of 8005-5904, 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 8005-5904 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5904
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5904
  • 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 8005-5904 available by request