8013-1147 Screening compound: 2-{[4-(ethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}acetonitrile

8013-1147 Screening compound: 2-{[4-(ethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}acetonitrile
8013-1147 Screening compound: 2-{[4-(ethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1147
2-{[4-(ethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}acetonitrile

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

8013-1147

Molecular Formula

C12H18N6O (C12 H18 N6 O)

Compound Name

2-{[4-(ethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]oxy}acetonitrile

IUPAC name

2-{[4-(ethylamino)-6-(piperidin-1-yl)-135-triazin-2-yl]oxy}acetonitrile

SMILES

CCNc1nc(OCC#N)nc(N2CCCCC2)n1

InChI

InChI=1S/C12H18N6O/c1-2-14-10-15-11(18-7-4-3-5-8-18)17-12(16-10)19-9-6-13/h2-5,7-9H2,1H3,(H,14,15,16,17)

InChI Key

DUVAJHJKRMXADG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.600

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-2.80

Polar Surface Area

68.461

Acid Dissociation Constant (pKa)

16.10

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

8013-1147 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-1147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1147?
Check Price and Availability of 8013-1147, 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 8013-1147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1147
  • 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 8013-1147 available by request