8017-4982 Screening compound: 3-cyano-5,6-diethoxy-1-ethyl-1,4,5,6-tetrahydro-2-pyrazinyl cyanide

8017-4982 Screening compound: 3-cyano-5,6-diethoxy-1-ethyl-1,4,5,6-tetrahydro-2-pyrazinyl cyanide
8017-4982 Screening compound: 3-cyano-5,6-diethoxy-1-ethyl-1,4,5,6-tetrahydro-2-pyrazinyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4982
3-cyano-5,6-diethoxy-1-ethyl-1,4,5,6-tetrahydro-2-pyrazinyl 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

8017-4982

Molecular Formula

C12H18N4O2 (C12 H18 N4 O2)

Compound Name

3-cyano-5,6-diethoxy-1-ethyl-1,4,5,6-tetrahydro-2-pyrazinyl cyanide

IUPAC name

56-diethoxy-1-ethyl-1456-tetrahydropyrazine-23-dicarbonitrile

SMILES

CCN(C1OCC)C(C#N)=C(C#N)NC1OCC

InChI

InChI=1S/C12H18N4O2/c1-4-16-10(8-14)9(7-13)15-11(17-5-2)12(16)18-6-3/h11-12,15H,4-6H2,1-3H3

InChI Key

MLGFVMNLADXPSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.904

Distribution Coefficient, logD

0.904

Water Solubility, LogSw

-1.13

Polar Surface Area

64.533

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

8017-4982 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-4982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4982?
Check Price and Availability of 8017-4982, 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 8017-4982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4982
  • 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 8017-4982 available by request