K890-0067 Screening compound: 2-({4-ethoxy-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}amino)ethan-1-ol

K890-0067 Screening compound: 2-({4-ethoxy-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}amino)ethan-1-ol
K890-0067 Screening compound: 2-({4-ethoxy-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}amino)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K890-0067
2-({4-ethoxy-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}amino)ethan-1-ol

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

K890-0067

Molecular Formula

C13H16N6O4 (C13 H16 N6 O4)

Compound Name

2-({4-ethoxy-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}amino)ethan-1-ol

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C13H16N6O4/c1-2-23-13-17-11(14-7-8-20)16-12(18-13)15-9-3-5-10(6-4-9)19(21)22/h3-6,20H,2,7-8H2,1H3,(H2,14,15,16,17,18)

InChI Key

DEJNNAROGRRGFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.852

Distribution Coefficient, logD

2.852

Water Solubility, LogSw

-3.33

Polar Surface Area

108.595

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

K890-0067 in Drug Discovery

Included in Screening Libraries

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 K890-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K890-0067?
Check Price and Availability of K890-0067, 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 K890-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K890-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K890-0067
  • 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 K890-0067 available by request