R049-0014 Screening compound: 3-(2-nitrophenyl)-2-oxo-1-(1,1,1-triphenyl-lambda~5~-phosphanylidene)propyl cyanide

R049-0014 Screening compound: 3-(2-nitrophenyl)-2-oxo-1-(1,1,1-triphenyl-lambda~5~-phosphanylidene)propyl cyanide
R049-0014 Screening compound: 3-(2-nitrophenyl)-2-oxo-1-(1,1,1-triphenyl-lambda~5~-phosphanylidene)propyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound R049-0014
3-(2-nitrophenyl)-2-oxo-1-(1,1,1-triphenyl-lambda~5~-phosphanylidene)propyl cyanide

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

R049-0014

Molecular Formula

C28H21N2O3P (C28 H21 N2 O3 P)

Compound Name

3-(2-nitrophenyl)-2-oxo-1-(1,1,1-triphenyl-lambda~5~-phosphanylidene)propyl cyanide

IUPAC name

4-(2-nitrophenyl)-3-oxo-2-(triphenyl-lambda5-phosphanylidene)butanenitrile

SMILES

N#CC(C(Cc(cccc1)c1[N+]([O-])=O)=O)=P(c1ccccc1)(c1ccccc1)c1ccccc1

InChI

InChI=1S/C28H21N2O3P/c29-21-28(27(31)20-22-12-10-11-19-26(22)30(32)33)34(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25/h1-19H,20H2

InChI Key

USSPYTSHNJAVBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00225199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.707

Distribution Coefficient, logD

6.707

Water Solubility, LogSw

-6.03

Polar Surface Area

62.808

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

-13.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

References: we are preparing a list of scientific research reports with R049-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R049-0014?
Check Price and Availability of R049-0014, 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 R049-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R049-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R049-0014
  • 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 R049-0014 available by request