8013-3126 Screening compound: 4,6-bis(diethylamino)-1,3,5-triazin-2-yl cyanide

8013-3126 Screening compound: 4,6-bis(diethylamino)-1,3,5-triazin-2-yl cyanide
8013-3126 Screening compound: 4,6-bis(diethylamino)-1,3,5-triazin-2-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3126
4,6-bis(diethylamino)-1,3,5-triazin-2-yl cyanide

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

8013-3126

Molecular Formula

C12H20N6 (C12 H20 N6)

Compound Name

4,6-bis(diethylamino)-1,3,5-triazin-2-yl cyanide

IUPAC name

bis(diethylamino)-135-triazine-2-carbonitrile

SMILES

CCN(CC)c1nc(C#N)nc(N(CC)CC)n1

InChI

InChI=1S/C12H20N6/c1-5-17(6-2)11-14-10(9-13)15-12(16-11)18(7-3)8-4/h5-8H2,1-4H3

InChI Key

HQUSCNPBGZVMTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.727

Distribution Coefficient, logD

3.727

Water Solubility, LogSw

-4.01

Polar Surface Area

51.478

Acid Dissociation Constant (pKa)

19.69

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

8013-3126 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

?ysteine Targeted Covalent Library (39471 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 8013-3126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3126?
Check Price and Availability of 8013-3126, 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 8013-3126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3126
  • 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 8013-3126 available by request