P006-1116 Screening compound: 3-(4-chlorophenyl)-N-[(furan-2-yl)methyl]-6-methyl-1,2,4-triazin-5-amine

P006-1116 Screening compound: 3-(4-chlorophenyl)-N-[(furan-2-yl)methyl]-6-methyl-1,2,4-triazin-5-amine
P006-1116 Screening compound: 3-(4-chlorophenyl)-N-[(furan-2-yl)methyl]-6-methyl-1,2,4-triazin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P006-1116
3-(4-chlorophenyl)-N-[(furan-2-yl)methyl]-6-methyl-1,2,4-triazin-5-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

P006-1116

Molecular Formula

C15H13ClN4O (C15 H13 ClN4 O)

Compound Name

3-(4-chlorophenyl)-N-[(furan-2-yl)methyl]-6-methyl-1,2,4-triazin-5-amine

IUPAC name

3-(4-chlorophenyl)-N-[(furan-2-yl)methyl]-6-methyl-124-triazin-5-amine

SMILES

Cc1nnc(-c(cc2)ccc2Cl)nc1NCc1ccco1

InChI

InChI=1S/C15H13ClN4O/c1-10-14(17-9-13-3-2-8-21-13)18-15(20-19-10)11-4-6-12(16)7-5-11/h2-8H,9H2,1H3,(H,17,18,20)

InChI Key

YAIUKCVXWBINJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.75

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.601

Distribution Coefficient, logD

3.595

Water Solubility, LogSw

-4.09

Polar Surface Area

50.865

Acid Dissociation Constant (pKa)

16.77

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

P006-1116 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P006-1116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P006-1116?
Check Price and Availability of P006-1116, 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 P006-1116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P006-1116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P006-1116
  • 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 P006-1116 available by request