3191-0584 Screening compound: 6-chloro-N2-(4-ethoxyphenyl)-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine

3191-0584 Screening compound: 6-chloro-N2-(4-ethoxyphenyl)-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine
3191-0584 Screening compound: 6-chloro-N2-(4-ethoxyphenyl)-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3191-0584
6-chloro-N2-(4-ethoxyphenyl)-N4-(prop-2-en-1-yl)-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

3191-0584

Molecular Formula

C14H16ClN5O (C14 H16 ClN5 O)

Compound Name

6-chloro-N2-(4-ethoxyphenyl)-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-chloro-N2-(4-ethoxyphenyl)-N4-(prop-2-en-1-yl)-135-triazine-24-diamine

SMILES

CCOc(cc1)ccc1Nc1nc(NCC=C)nc(Cl)n1

InChI

InChI=1S/C14H16ClN5O/c1-3-9-16-13-18-12(15)19-14(20-13)17-10-5-7-11(8-6-10)21-4-2/h3,5-8H,1,4,9H2,2H3,(H2,16,17,18,19,20)

InChI Key

ALVABPQDZGFRKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.144

Distribution Coefficient, logD

4.144

Water Solubility, LogSw

-4.26

Polar Surface Area

58.491

Acid Dissociation Constant (pKa)

15.24

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

3191-0584 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 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 3191-0584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3191-0584?
Check Price and Availability of 3191-0584, 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 3191-0584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3191-0584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3191-0584
  • 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 3191-0584 available by request