K890-0042 Screening compound: 2-({4-ethoxy-6-[(4-iodophenyl)amino]-1,3,5-triazin-2-yl}amino)ethan-1-ol

K890-0042 Screening compound: 2-({4-ethoxy-6-[(4-iodophenyl)amino]-1,3,5-triazin-2-yl}amino)ethan-1-ol
K890-0042 Screening compound: 2-({4-ethoxy-6-[(4-iodophenyl)amino]-1,3,5-triazin-2-yl}amino)ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound K890-0042
2-({4-ethoxy-6-[(4-iodophenyl)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

K890-0042

Molecular Formula

C13H16IN5O2 (C13 H16 IN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc1nc(NCCO)nc(Nc(cc2)ccc2I)n1

InChI

InChI=1S/C13H16IN5O2/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

AGLHTUPNZDRQNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.21

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

4.137

Distribution Coefficient, logD

4.137

Water Solubility, LogSw

-3.95

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

K890-0042 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K890-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K890-0042?
Check Price and Availability of K890-0042, 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 K890-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K890-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K890-0042
  • 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 K890-0042 available by request