2159-0342 Screening compound: (2E)-3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)prop-2-enamide

2159-0342 Screening compound: (2E)-3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)prop-2-enamide
2159-0342 Screening compound: (2E)-3-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2159-0342
(2E)-3-(4-methoxyphenyl)-N-(4-methyl-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

2159-0342

Molecular Formula

C17H16N2O4 (C17 H16 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(NC(/C=C/c(cc1)ccc1OC)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C17H16N2O4/c1-12-3-7-14(11-16(12)19(21)22)18-17(20)10-6-13-4-8-15(23-2)9-5-13/h3-11H,1-2H3,(H,18,20)

InChI Key

DEGJXPWYAZAJST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01180731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.33

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

4.088

Distribution Coefficient, logD

4.087

Water Solubility, LogSw

-4.47

Polar Surface Area

63.741

Acid Dissociation Constant (pKa)

9.93

Base Dissociation Constant (pKb)

2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

2159-0342 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 2159-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2159-0342?
Check Price and Availability of 2159-0342, 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 2159-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2159-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2159-0342
  • 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 2159-0342 available by request