2044-1217 Screening compound: (2E)-2-cyano-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide

2044-1217 Screening compound: (2E)-2-cyano-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
2044-1217 Screening compound: (2E)-2-cyano-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2044-1217
(2E)-2-cyano-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)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

2044-1217

Molecular Formula

C19H19N3O2 (C19 H19 N3 O2)

Compound Name

(2E)-2-cyano-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide

IUPAC name

(2E)-2-cyano-N-[4-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide

SMILES

CN(C)c(cc1)ccc1NC(/C(/C#N)=C/c(cc1)ccc1OC)=O

InChI

InChI=1S/C19H19N3O2/c1-22(2)17-8-6-16(7-9-17)21-19(23)15(13-20)12-14-4-10-18(24-3)11-5-14/h4-12H,1-3H3,(H,21,23)

InChI Key

JINBHUBQOTWXNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01536206

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

3.610

Water Solubility, LogSw

-3.99

Polar Surface Area

50.734

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

2044-1217 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Agro:
  • Agro
Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2044-1217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2044-1217?
Check Price and Availability of 2044-1217, 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 2044-1217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2044-1217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2044-1217
  • 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 2044-1217 available by request