5508-0126 Screening compound: N4-ethyl-N2,N2-dimethyl-6-[(2-phenoxyethyl)sulfanyl]-1,3,5-triazine-2,4-diamine

5508-0126 Screening compound: N4-ethyl-N2,N2-dimethyl-6-[(2-phenoxyethyl)sulfanyl]-1,3,5-triazine-2,4-diamine
5508-0126 Screening compound: N4-ethyl-N2,N2-dimethyl-6-[(2-phenoxyethyl)sulfanyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5508-0126
N4-ethyl-N2,N2-dimethyl-6-[(2-phenoxyethyl)sulfanyl]-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

5508-0126

Molecular Formula

C15H21N5OS (C15 H21 N5 OS)

Compound Name

N4-ethyl-N2,N2-dimethyl-6-[(2-phenoxyethyl)sulfanyl]-1,3,5-triazine-2,4-diamine

IUPAC name

N4-ethyl-N2N2-dimethyl-6-[(2-phenoxyethyl)sulfanyl]-135-triazine-24-diamine

SMILES

CCNc1nc(SCCOc2ccccc2)nc(N(C)C)n1

InChI

InChI=1S/C15H21N5OS/c1-4-16-13-17-14(20(2)3)19-15(18-13)22-11-10-21-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,17,18,19)

InChI Key

HFEKSIAWANDSHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03502242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-3.91

Polar Surface Area

48.971

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

5508-0126 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5508-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5508-0126?
Check Price and Availability of 5508-0126, 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 5508-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5508-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5508-0126
  • 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 5508-0126 available by request