K890-0094 Screening compound: 6-ethoxy-N2-(4-iodo-2-methylphenyl)-N4-[2-(morpholin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

K890-0094 Screening compound: 6-ethoxy-N2-(4-iodo-2-methylphenyl)-N4-[2-(morpholin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
K890-0094 Screening compound: 6-ethoxy-N2-(4-iodo-2-methylphenyl)-N4-[2-(morpholin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound K890-0094
6-ethoxy-N2-(4-iodo-2-methylphenyl)-N4-[2-(morpholin-4-yl)ethyl]-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

K890-0094

Molecular Formula

C18H25IN6O2 (C18 H25 IN6 O2)

Compound Name

6-ethoxy-N2-(4-iodo-2-methylphenyl)-N4-[2-(morpholin-4-yl)ethyl]-1,3,5-triazine-2,4-diamine

IUPAC name

6-ethoxy-N2-(4-iodo-2-methylphenyl)-N4-[2-(morpholin-4-yl)ethyl]-135-triazine-24-diamine

SMILES

CCOc1nc(NCCN2CCOCC2)nc(Nc(cc2)c(C)cc2I)n1

InChI

InChI=1S/C18H25IN6O2/c1-3-27-18-23-16(20-6-7-25-8-10-26-11-9-25)22-17(24-18)21-15-5-4-14(19)12-13(15)2/h4-5,12H,3,6-11H2,1-2H3,(H2,20,21,22,23,24)

InChI Key

WJYKWARLRBMZCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.819

Distribution Coefficient, logD

4.730

Water Solubility, LogSw

-4.41

Polar Surface Area

69.479

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

K890-0094 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K890-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K890-0094?
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What is the minimum amount of K890-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K890-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K890-0094
  • 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 K890-0094 available by request