K890-0013 Screening compound: N2-(4-chlorophenyl)-6-methoxy-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine

K890-0013 Screening compound: N2-(4-chlorophenyl)-6-methoxy-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine
K890-0013 Screening compound: N2-(4-chlorophenyl)-6-methoxy-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound K890-0013
N2-(4-chlorophenyl)-6-methoxy-N4-(prop-2-en-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

K890-0013

Molecular Formula

C13H14ClN5O (C13 H14 ClN5 O)

Compound Name

N2-(4-chlorophenyl)-6-methoxy-N4-(prop-2-en-1-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-(4-chlorophenyl)-6-methoxy-N4-(prop-2-en-1-yl)-135-triazine-24-diamine

SMILES

COc1nc(NCC=C)nc(Nc(cc2)ccc2Cl)n1

InChI

InChI=1S/C13H14ClN5O/c1-3-8-15-11-17-12(19-13(18-11)20-2)16-10-6-4-9(14)5-7-10/h3-7H,1,8H2,2H3,(H2,15,16,17,18,19)

InChI Key

UQGQEDCHOHOQQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.274

Distribution Coefficient, logD

4.274

Water Solubility, LogSw

-4.47

Polar Surface Area

58.978

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

K890-0013 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K890-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K890-0013?
Check Price and Availability of K890-0013, 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 K890-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K890-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K890-0013
  • 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 K890-0013 available by request