K890-0049 Screening compound: N2-(4-iodophenyl)-N4-[2-(morpholin-4-yl)ethyl]-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine

K890-0049 Screening compound: N2-(4-iodophenyl)-N4-[2-(morpholin-4-yl)ethyl]-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
K890-0049 Screening compound: N2-(4-iodophenyl)-N4-[2-(morpholin-4-yl)ethyl]-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound K890-0049
N2-(4-iodophenyl)-N4-[2-(morpholin-4-yl)ethyl]-6-(pyrrolidin-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

K890-0049

Molecular Formula

C19H26IN7O (C19 H26 IN7 O)

Compound Name

N2-(4-iodophenyl)-N4-[2-(morpholin-4-yl)ethyl]-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-(4-iodophenyl)-N4-[2-(morpholin-4-yl)ethyl]-6-(pyrrolidin-1-yl)-135-triazine-24-diamine

SMILES

Ic(cc1)ccc1Nc1nc(N2CCCC2)nc(NCCN2CCOCC2)n1

InChI

InChI=1S/C19H26IN7O/c20-15-3-5-16(6-4-15)22-18-23-17(21-7-10-26-11-13-28-14-12-26)24-19(25-18)27-8-1-2-9-27/h3-6H,1-2,7-14H2,(H2,21,22,23,24,25)

InChI Key

VBDYHUJBWMULNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03352674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.960

Distribution Coefficient, logD

4.871

Water Solubility, LogSw

-4.76

Polar Surface Area

65.998

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

6.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

K890-0049 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 K890-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K890-0049?
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What is the minimum amount of K890-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K890-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K890-0049
  • 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 K890-0049 available by request