K890-0068 Screening compound: 6-ethoxy-N2-(4-nitrophenyl)-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine

K890-0068 Screening compound: 6-ethoxy-N2-(4-nitrophenyl)-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine
K890-0068 Screening compound: 6-ethoxy-N2-(4-nitrophenyl)-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound K890-0068
6-ethoxy-N2-(4-nitrophenyl)-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

K890-0068

Molecular Formula

C14H16N6O3 (C14 H16 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1nc(NCC=C)nc(Nc(cc2)ccc2[N+]([O-])=O)n1

InChI

InChI=1S/C14H16N6O3/c1-3-9-15-12-17-13(19-14(18-12)23-4-2)16-10-5-7-11(8-6-10)20(21)22/h3,5-8H,1,4,9H2,2H3,(H2,15,16,17,18,19)

InChI Key

VOYXYUJYDYOQBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028463

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.986

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-4.08

Polar Surface Area

91.939

Acid Dissociation Constant (pKa)

13.54

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

K890-0068 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 K890-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K890-0068?
Check Price and Availability of K890-0068, 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 K890-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K890-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K890-0068
  • 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 K890-0068 available by request