4476-0775 Screening compound: (2Z)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)-N-[(pyridin-4-yl)methyl]prop-2-enamide

4476-0775 Screening compound: (2Z)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)-N-[(pyridin-4-yl)methyl]prop-2-enamide
4476-0775 Screening compound: (2Z)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)-N-[(pyridin-4-yl)methyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-0775
(2Z)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)-N-[(pyridin-4-yl)methyl]prop-2-enamide

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

4476-0775

Molecular Formula

C24H24N4O2 (C24 H24 N4 O2)

Compound Name

(2Z)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)-N-[(pyridin-4-yl)methyl]prop-2-enamide

IUPAC name

(2Z)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)-N-[(pyridin-4-yl)methyl]prop-2-enamide

SMILES

CN(C)c1ccc(/C=C(/C(NCc2ccncc2)=O)\NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C24H24N4O2/c1-28(2)21-10-8-18(9-11-21)16-22(27-23(29)20-6-4-3-5-7-20)24(30)26-17-19-12-14-25-15-13-19/h3-16H,17H2,1-2H3,(H,26,30)(H,27,29)

InChI Key

OJLFIKGSXJJYEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01944352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.576

Distribution Coefficient, logD

1.865

Water Solubility, LogSw

-2.70

Polar Surface Area

58.809

Acid Dissociation Constant (pKa)

6.78

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4476-0775 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4476-0775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-0775?
Check Price and Availability of 4476-0775, 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 4476-0775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-0775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-0775
  • 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 4476-0775 available by request