5458-1384 Screening compound: (E)-{[4-(dimethylamino)phenyl]methylidene}amino N-phenylcarbamate

5458-1384 Screening compound: (E)-{[4-(dimethylamino)phenyl]methylidene}amino N-phenylcarbamate
5458-1384 Screening compound: (E)-{[4-(dimethylamino)phenyl]methylidene}amino N-phenylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5458-1384
(E)-{[4-(dimethylamino)phenyl]methylidene}amino N-phenylcarbamate

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

5458-1384

Molecular Formula

C16H17N3O2 (C16 H17 N3 O2)

Compound Name

(E)-{[4-(dimethylamino)phenyl]methylidene}amino N-phenylcarbamate

IUPAC name

(E)-{[4-(dimethylamino)phenyl]methylidene}amino N-phenylcarbamate

SMILES

CN(C)c1ccc(/C=N/OC(Nc2ccccc2)=O)cc1

InChI

InChI=1S/C16H17N3O2/c1-19(2)15-10-8-13(9-11-15)12-17-21-16(20)18-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,20)

InChI Key

GFWQVGZOCSTMLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00417733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.106

Distribution Coefficient, logD

3.106

Water Solubility, LogSw

-3.46

Polar Surface Area

43.215

Acid Dissociation Constant (pKa)

11.55

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

5458-1384 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Eccentric PPI Library (11937 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5458-1384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5458-1384?
Check Price and Availability of 5458-1384, 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 5458-1384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5458-1384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5458-1384
  • 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 5458-1384 available by request