K890-0017 Screening compound: 2-({4-[(4-chlorophenyl)amino]-6-ethoxy-1,3,5-triazin-2-yl}amino)ethan-1-ol

K890-0017 Screening compound: 2-({4-[(4-chlorophenyl)amino]-6-ethoxy-1,3,5-triazin-2-yl}amino)ethan-1-ol
K890-0017 Screening compound: 2-({4-[(4-chlorophenyl)amino]-6-ethoxy-1,3,5-triazin-2-yl}amino)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K890-0017
2-({4-[(4-chlorophenyl)amino]-6-ethoxy-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

K890-0017

Molecular Formula

C13H16ClN5O2 (C13 H16 ClN5 O2)

Compound Name

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

IUPAC name

2-({4-[(4-chlorophenyl)amino]-6-ethoxy-135-triazin-2-yl}amino)ethan-1-ol

SMILES

CCOc1nc(NCCO)nc(Nc(cc2)ccc2Cl)n1

InChI

InChI=1S/C13H16ClN5O2/c1-2-21-13-18-11(15-7-8-20)17-12(19-13)16-10-5-3-9(14)4-6-10/h3-6,20H,2,7-8H2,1H3,(H2,15,16,17,18,19)

InChI Key

SMMCQSAJDJGYAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.522

Distribution Coefficient, logD

3.522

Water Solubility, LogSw

-3.81

Polar Surface Area

75.213

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

K890-0017 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Pool

References: we are preparing a list of scientific research reports with K890-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K890-0017?
Check Price and Availability of K890-0017, 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 K890-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K890-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K890-0017
  • 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 K890-0017 available by request