K890-0053 Screening compound: N-ALLYL-N-[4-CHLORO-6-(4-NITROANILINO)-1,3,5-TRIAZIN-2-YL]AMINE

K890-0053 Screening compound: N-ALLYL-N-[4-CHLORO-6-(4-NITROANILINO)-1,3,5-TRIAZIN-2-YL]AMINE
K890-0053 Screening compound: N-ALLYL-N-[4-CHLORO-6-(4-NITROANILINO)-1,3,5-TRIAZIN-2-YL]AMINE alternative view

Chemical Structure Depiction of ChemDiv screening compound K890-0053
N-ALLYL-N-[4-CHLORO-6-(4-NITROANILINO)-1,3,5-TRIAZIN-2-YL]AMINE

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

K890-0053

Molecular Formula

C12H11ClN6O2 (C12 H11 ClN6 O2)

Compound Name

N-ALLYL-N-[4-CHLORO-6-(4-NITROANILINO)-1,3,5-TRIAZIN-2-YL]AMINE

IUPAC name

n/a

SMILES

C=CCNc1nc(Cl)nc(Nc(cc2)ccc2[N+]([O-])=O)n1

InChI

InChI=1S/C12H11ClN6O2/c1-2-7-14-11-16-10(13)17-12(18-11)15-8-3-5-9(6-4-8)19(20)21/h2-6H,1,7H2,(H2,14,15,16,17,18)

InChI Key

RBJREGWBPSYFPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15111144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.701

Distribution Coefficient, logD

3.701

Water Solubility, LogSw

-4.25

Polar Surface Area

84.749

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.00

K890-0053 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K890-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K890-0053?
Check Price and Availability of K890-0053, 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 K890-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K890-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K890-0053
  • 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 K890-0053 available by request