2260-4651 Screening compound: (2E)-N-[2-(4-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide

2260-4651 Screening compound: (2E)-N-[2-(4-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide
2260-4651 Screening compound: (2E)-N-[2-(4-methoxyphenyl)ethyl]-3-(4-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2260-4651
(2E)-N-[2-(4-methoxyphenyl)ethyl]-3-(4-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

2260-4651

Molecular Formula

C18H18N2O4 (C18 H18 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(CCNC(/C=C/c(cc2)ccc2[N+]([O-])=O)=O)cc1

InChI

InChI=1S/C18H18N2O4/c1-24-17-9-4-15(5-10-17)12-13-19-18(21)11-6-14-2-7-16(8-3-14)20(22)23/h2-11H,12-13H2,1H3,(H,19,21)

InChI Key

XUETXUJTJYCKIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01343229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.477

Distribution Coefficient, logD

3.477

Water Solubility, LogSw

-3.72

Polar Surface Area

65.205

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2260-4651 in Drug Discovery

Included in Screening Libraries

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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2260-4651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2260-4651?
Check Price and Availability of 2260-4651, 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 2260-4651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2260-4651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2260-4651
  • 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 2260-4651 available by request