D048-0129 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile

D048-0129 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile
D048-0129 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0129
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile

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

D048-0129

Molecular Formula

C11H8N2O2 (C11 H8 N2 O2)

Compound Name

3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanenitrile

IUPAC name

3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)propanenitrile

SMILES

N#CCCN(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C11H8N2O2/c12-6-3-7-13-10(14)8-4-1-2-5-9(8)11(13)15/h1-2,4-5H,3,7H2

InChI Key

LOOWMCWVRNEZLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00090743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

200.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.825

Distribution Coefficient, logD

0.825

Water Solubility, LogSw

-1.95

Polar Surface Area

47.233

Acid Dissociation Constant (pKa)

21.67

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with D048-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0129?
Check Price and Availability of D048-0129, 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 D048-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0129
  • 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 D048-0129 available by request