2042-2799 Screening compound: (2E)-3-(4-methoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide

2042-2799 Screening compound: (2E)-3-(4-methoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide
2042-2799 Screening compound: (2E)-3-(4-methoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2042-2799
(2E)-3-(4-methoxyphenyl)-N-(3-nitrophenyl)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

2042-2799

Molecular Formula

C16H14N2O4 (C16 H14 N2 O4)

Compound Name

(2E)-3-(4-methoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide

IUPAC name

(2E)-3-(4-methoxyphenyl)-N-(3-nitrophenyl)prop-2-enamide

SMILES

COc1ccc(/C=C/C(Nc2cccc([N+]([O-])=O)c2)=O)cc1

InChI

InChI=1S/C16H14N2O4/c1-22-15-8-5-12(6-9-15)7-10-16(19)17-13-3-2-4-14(11-13)18(20)21/h2-11H,1H3,(H,17,19)

InChI Key

GQOIAGAMZQUXML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00409599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

3.747

Water Solubility, LogSw

-4.10

Polar Surface Area

64.041

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

2042-2799 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2042-2799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2042-2799?
Check Price and Availability of 2042-2799, 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 2042-2799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2042-2799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2042-2799
  • 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 2042-2799 available by request