4695-2691 Screening compound: 1,4-dibenzyl-1,2,3,4-tetrahydroquinoxaline-6,7-dicarbonitrile

4695-2691 Screening compound: 1,4-dibenzyl-1,2,3,4-tetrahydroquinoxaline-6,7-dicarbonitrile
4695-2691 Screening compound: 1,4-dibenzyl-1,2,3,4-tetrahydroquinoxaline-6,7-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4695-2691
1,4-dibenzyl-1,2,3,4-tetrahydroquinoxaline-6,7-dicarbonitrile

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

4695-2691

Molecular Formula

C24H20N4 (C24 H20 N4)

Compound Name

1,4-dibenzyl-1,2,3,4-tetrahydroquinoxaline-6,7-dicarbonitrile

IUPAC name

14-dibenzyl-1234-tetrahydroquinoxaline-67-dicarbonitrile

SMILES

N#Cc(cc1N(Cc2ccccc2)CCN(Cc2ccccc2)c1c1)c1C#N

InChI

InChI=1S/C24H20N4/c25-15-21-13-23-24(14-22(21)16-26)28(18-20-9-5-2-6-10-20)12-11-27(23)17-19-7-3-1-4-8-19/h1-10,13-14H,11-12,17-18H2

InChI Key

WVCUSQLNNXNNNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02376119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.456

Distribution Coefficient, logD

4.456

Water Solubility, LogSw

-4.47

Polar Surface Area

39.556

Acid Dissociation Constant (pKa)

24.60

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4695-2691 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4695-2691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4695-2691?
Check Price and Availability of 4695-2691, 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 4695-2691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4695-2691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4695-2691
  • 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 4695-2691 available by request