0990-0090 Screening compound: (2E)-1,3-bis(4-nitrophenyl)prop-2-en-1-one

0990-0090 Screening compound: (2E)-1,3-bis(4-nitrophenyl)prop-2-en-1-one
0990-0090 Screening compound: (2E)-1,3-bis(4-nitrophenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0990-0090
(2E)-1,3-bis(4-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

0990-0090

Molecular Formula

C15H10N2O5 (C15 H10 N2 O5)

Compound Name

(2E)-1,3-bis(4-nitrophenyl)prop-2-en-1-one

IUPAC name

(2E)-13-bis(4-nitrophenyl)prop-2-en-1-one

SMILES

[O-][N+](c1ccc(/C=C/C(c(cc2)ccc2[N+]([O-])=O)=O)cc1)=O

InChI

InChI=1S/C15H10N2O5/c18-15(12-4-8-14(9-5-12)17(21)22)10-3-11-1-6-13(7-2-11)16(19)20/h1-10H

InChI Key

VVTIIOZTCXSWKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00024745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.25

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.596

Distribution Coefficient, logD

3.596

Water Solubility, LogSw

-3.74

Polar Surface Area

79.977

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0990-0090 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0990-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0990-0090?
Check Price and Availability of 0990-0090, 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 0990-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0990-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0990-0090
  • 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 0990-0090 available by request