0093-0022 Screening compound: 2-(4-{cyano[4-(pyrrolidin-1-yl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)propanedinitrile

0093-0022 Screening compound: 2-(4-{cyano[4-(pyrrolidin-1-yl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)propanedinitrile
0093-0022 Screening compound: 2-(4-{cyano[4-(pyrrolidin-1-yl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)propanedinitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 0093-0022
2-(4-{cyano[4-(pyrrolidin-1-yl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)propanedinitrile

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

0093-0022

Molecular Formula

C21H16N4 (C21 H16 N4)

Compound Name

2-(4-{cyano[4-(pyrrolidin-1-yl)phenyl]methylidene}cyclohexa-2,5-dien-1-ylidene)propanedinitrile

IUPAC name

2-(4-{cyano[4-(pyrrolidin-1-yl)phenyl]methylidene}cyclohexa-25-dien-1-ylidene)propanedinitrile

SMILES

N#CC(c(cc1)ccc1N1CCCC1)=C(C=C1)C=CC1=C(C#N)C#N

InChI

InChI=1S/C21H16N4/c22-13-19(14-23)16-3-5-17(6-4-16)21(15-24)18-7-9-20(10-8-18)25-11-1-2-12-25/h3-10H,1-2,11-12H2

InChI Key

JZMRAFRNNHKNQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00600516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.681

Distribution Coefficient, logD

3.681

Water Solubility, LogSw

-4.00

Polar Surface Area

55.146

Acid Dissociation Constant (pKa)

27.06

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 0093-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0093-0022?
Check Price and Availability of 0093-0022, 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 0093-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0093-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0093-0022
  • 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 0093-0022 available by request