4100-0650 Screening compound: (2E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one

4100-0650 Screening compound: (2E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one
4100-0650 Screening compound: (2E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4100-0650
(2E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one

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

4100-0650

Molecular Formula

C20H21N3O4 (C20 H21 N3 O4)

Compound Name

(2E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one

IUPAC name

(2E)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one

SMILES

COc(cccc1)c1N(CC1)CCN1C(/C=C/c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C20H21N3O4/c1-27-19-8-3-2-7-18(19)21-11-13-22(14-12-21)20(24)10-9-16-5-4-6-17(15-16)23(25)26/h2-10,15H,11-14H2,1H3

InChI Key

NUKOAACTLSCAKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00583377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.75

Polar Surface Area

60.331

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4100-0650 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 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
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4100-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4100-0650?
Check Price and Availability of 4100-0650, 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 4100-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4100-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4100-0650
  • 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 4100-0650 available by request