8015-8787 Screening compound: N-[4-amino-6-(chloromethyl)-1,3,5-triazin-2-yl]-N-phenethylamine

8015-8787 Screening compound: N-[4-amino-6-(chloromethyl)-1,3,5-triazin-2-yl]-N-phenethylamine
8015-8787 Screening compound: N-[4-amino-6-(chloromethyl)-1,3,5-triazin-2-yl]-N-phenethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8787
N-[4-amino-6-(chloromethyl)-1,3,5-triazin-2-yl]-N-phenethylamine

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

8015-8787

Molecular Formula

C12H14ClN5 (C12 H14 ClN5)

Compound Name

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

IUPAC name

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

SMILES

Nc1nc(CCl)nc(NCCc2ccccc2)n1

InChI

InChI=1S/C12H14ClN5/c13-8-10-16-11(14)18-12(17-10)15-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H3,14,15,16,17,18)

InChI Key

PUAOOCQSPNTZLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.73

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.142

Distribution Coefficient, logD

2.142

Water Solubility, LogSw

-2.38

Polar Surface Area

62.772

Acid Dissociation Constant (pKa)

16.75

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8015-8787 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-8787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8787?
Check Price and Availability of 8015-8787, 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 8015-8787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8787
  • 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 8015-8787 available by request