0831-1038 Screening compound: (1E,4E)-1,5-bis(3-nitrophenyl)penta-1,4-dien-3-one

0831-1038 Screening compound: (1E,4E)-1,5-bis(3-nitrophenyl)penta-1,4-dien-3-one
0831-1038 Screening compound: (1E,4E)-1,5-bis(3-nitrophenyl)penta-1,4-dien-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-1038
(1E,4E)-1,5-bis(3-nitrophenyl)penta-1,4-dien-3-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

0831-1038

Molecular Formula

C17H12N2O5 (C17 H12 N2 O5)

Compound Name

(1E,4E)-1,5-bis(3-nitrophenyl)penta-1,4-dien-3-one

IUPAC name

(1E4E)-15-bis(3-nitrophenyl)penta-14-dien-3-one

SMILES

[O-][N+](c1cccc(/C=C/C(/C=C/c2cccc([N+]([O-])=O)c2)=O)c1)=O

InChI

InChI=1S/C17H12N2O5/c20-17(9-7-13-3-1-5-15(11-13)18(21)22)10-8-14-4-2-6-16(12-14)19(23)24/h1-12H

InChI Key

ZPQURSDVJWZXLQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00498489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.29

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.975

Distribution Coefficient, logD

3.975

Water Solubility, LogSw

-4.25

Polar Surface Area

79.485

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0831-1038 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0831-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-1038?
Check Price and Availability of 0831-1038, 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 0831-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-1038
  • 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 0831-1038 available by request