4814-0003 Screening compound: 6-ethoxy-N2-[(furan-2-yl)methyl]-N4-hexyl-1,3,5-triazine-2,4-diamine

4814-0003 Screening compound: 6-ethoxy-N2-[(furan-2-yl)methyl]-N4-hexyl-1,3,5-triazine-2,4-diamine
4814-0003 Screening compound: 6-ethoxy-N2-[(furan-2-yl)methyl]-N4-hexyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4814-0003
6-ethoxy-N2-[(furan-2-yl)methyl]-N4-hexyl-1,3,5-triazine-2,4-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

4814-0003

Molecular Formula

C16H25N5O2 (C16 H25 N5 O2)

Compound Name

6-ethoxy-N2-[(furan-2-yl)methyl]-N4-hexyl-1,3,5-triazine-2,4-diamine

IUPAC name

6-ethoxy-N2-[(furan-2-yl)methyl]-N4-hexyl-135-triazine-24-diamine

SMILES

CCCCCCNc1nc(NCc2ccco2)nc(OCC)n1

InChI

InChI=1S/C16H25N5O2/c1-3-5-6-7-10-17-14-19-15(21-16(20-14)22-4-2)18-12-13-9-8-11-23-13/h8-9,11H,3-7,10,12H2,1-2H3,(H2,17,18,19,20,21)

InChI Key

IOUSNEFHJKZMFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02045456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.165

Distribution Coefficient, logD

5.165

Water Solubility, LogSw

-4.85

Polar Surface Area

67.629

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

4814-0003 in Drug Discovery

Included in Screening Libraries

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4814-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4814-0003?
Check Price and Availability of 4814-0003, 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 4814-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4814-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4814-0003
  • 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 4814-0003 available by request