0557-0515 Screening compound: 1-{2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-2-oxoethyl}-3-(phenylcarbamoyl)pyridin-1-ium

0557-0515 Screening compound: 1-{2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-2-oxoethyl}-3-(phenylcarbamoyl)pyridin-1-ium
0557-0515 Screening compound: 1-{2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-2-oxoethyl}-3-(phenylcarbamoyl)pyridin-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0557-0515
1-{2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-2-oxoethyl}-3-(phenylcarbamoyl)pyridin-1-ium

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

0557-0515

Molecular Formula

C28H20N3O4 (C28 H20 N3 O4)

Compound Name

1-{2-[4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl]-2-oxoethyl}-3-(phenylcarbamoyl)pyridin-1-ium

IUPAC name

1-{2-[4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)phenyl]-2-oxoethyl}-3-(phenylcarbamoyl)pyridin-1-ium

SMILES

O=C(C[n+]1cc(C(Nc2ccccc2)=O)ccc1)c(cc1)ccc1N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C28H19N3O4/c32-25(18-30-16-6-7-20(17-30)26(33)29-21-8-2-1-3-9-21)19-12-14-22(15-13-19)31-27(34)23-10-4-5-11-24(23)28(31)35/h1-17H,18H2/p+1

InChI Key

ZCVCGYWVZHDYHH-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00805413

Chemical and Physical Properties

Saltdata

Br-

Molecular Weight

462.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.507

Water Solubility, LogSw

-3.71

Polar Surface Area

67.904

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

References: we are preparing a list of scientific research reports with 0557-0515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0557-0515?
Check Price and Availability of 0557-0515, 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 0557-0515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0557-0515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0557-0515
  • 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 0557-0515 available by request