8016-0559 Screening compound: N-[4-amino-6-(chloromethyl)-1,3,5-triazin-2-yl]-N-(2-methoxyphenyl)amine

8016-0559 Screening compound: N-[4-amino-6-(chloromethyl)-1,3,5-triazin-2-yl]-N-(2-methoxyphenyl)amine
8016-0559 Screening compound: N-[4-amino-6-(chloromethyl)-1,3,5-triazin-2-yl]-N-(2-methoxyphenyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0559
N-[4-amino-6-(chloromethyl)-1,3,5-triazin-2-yl]-N-(2-methoxyphenyl)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

8016-0559

Molecular Formula

C11H12ClN5O (C11 H12 ClN5 O)

Compound Name

N-[4-amino-6-(chloromethyl)-1,3,5-triazin-2-yl]-N-(2-methoxyphenyl)amine

IUPAC name

6-(chloromethyl)-N2-(2-methoxyphenyl)-135-triazine-24-diamine

SMILES

COc(cccc1)c1Nc1nc(N)nc(CCl)n1

InChI

InChI=1S/C11H12ClN5O/c1-18-8-5-3-2-4-7(8)14-11-16-9(6-12)15-10(13)17-11/h2-5H,6H2,1H3,(H3,13,14,15,16,17)

InChI Key

UWNVVXSNBLERAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03941318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.7

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.417

Distribution Coefficient, logD

2.415

Water Solubility, LogSw

-2.92

Polar Surface Area

68.541

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

8016-0559 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8016-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0559?
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What is the minimum amount of 8016-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0559
  • 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 8016-0559 available by request