4286-0277 Screening compound: (E)-N'-(2-benzoyl-4-cyano-5-methyl-1-phenyl-1H-pyrrol-3-yl)-N,N-dimethylmethanimidamide

4286-0277 Screening compound: (E)-N'-(2-benzoyl-4-cyano-5-methyl-1-phenyl-1H-pyrrol-3-yl)-N,N-dimethylmethanimidamide
4286-0277 Screening compound: (E)-N'-(2-benzoyl-4-cyano-5-methyl-1-phenyl-1H-pyrrol-3-yl)-N,N-dimethylmethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4286-0277
(E)-N'-(2-benzoyl-4-cyano-5-methyl-1-phenyl-1H-pyrrol-3-yl)-N,N-dimethylmethanimidamide

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

4286-0277

Molecular Formula

C22H20N4O (C22 H20 N4 O)

Compound Name

(E)-N'-(2-benzoyl-4-cyano-5-methyl-1-phenyl-1H-pyrrol-3-yl)-N,N-dimethylmethanimidamide

IUPAC name

(E)-N'-(2-benzoyl-4-cyano-5-methyl-1-phenyl-1H-pyrrol-3-yl)-NN-dimethylmethanimidamide

SMILES

Cc(n(c(C(c1ccccc1)=O)c1/N=C/N(C)C)-c2ccccc2)c1C#N

InChI

InChI=1S/C22H20N4O/c1-16-19(14-23)20(24-15-25(2)3)21(22(27)17-10-6-4-7-11-17)26(16)18-12-8-5-9-13-18/h4-13,15H,1-3H3

InChI Key

MVBJOPWPBCBGEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00575909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.030

Distribution Coefficient, logD

3.027

Water Solubility, LogSw

-3.28

Polar Surface Area

42.082

Acid Dissociation Constant (pKa)

31.86

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4286-0277 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4286-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4286-0277?
Check Price and Availability of 4286-0277, 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 4286-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4286-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4286-0277
  • 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 4286-0277 available by request