4470-0125 Screening compound: 1-[bis(3-nitrophenyl)phosphoroso]piperidine

4470-0125 Screening compound: 1-[bis(3-nitrophenyl)phosphoroso]piperidine
4470-0125 Screening compound: 1-[bis(3-nitrophenyl)phosphoroso]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4470-0125
1-[bis(3-nitrophenyl)phosphoroso]piperidine

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

4470-0125

Molecular Formula

C17H18N3O5P (C17 H18 N3 O5 P)

Compound Name

1-[bis(3-nitrophenyl)phosphoroso]piperidine

IUPAC name

1-[bis(3-nitrophenyl)phosphoroso]piperidine

SMILES

[O-][N+](c1cccc(P(c2cc([N+]([O-])=O)ccc2)(N2CCCCC2)=O)c1)=O

InChI

InChI=1S/C17H18N3O5P/c21-19(22)14-6-4-8-16(12-14)26(25,18-10-2-1-3-11-18)17-9-5-7-15(13-17)20(23)24/h4-9,12-13H,1-3,10-11H2

InChI Key

LMBIHTMUKGIGDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447580

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-3.95

Polar Surface Area

86.157

Acid Dissociation Constant (pKa)

26.79

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 4470-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4470-0125?
Check Price and Availability of 4470-0125, 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 4470-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4470-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4470-0125
  • 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 4470-0125 available by request