C790-0536 Screening compound: 2-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzonitrile

C790-0536 Screening compound: 2-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzonitrile
C790-0536 Screening compound: 2-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C790-0536
2-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzonitrile

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

C790-0536

Molecular Formula

C13H14N2O2 (C13 H14 N2 O2)

Compound Name

2-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzonitrile

IUPAC name

2-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzonitrile

SMILES

N#Cc(cccc1)c1OCC(N1CCCC1)=O

InChI

InChI=1S/C13H14N2O2/c14-9-11-5-1-2-6-12(11)17-10-13(16)15-7-3-4-8-15/h1-2,5-6H,3-4,7-8,10H2

InChI Key

AQBUJJWFHPWVEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09937184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

230.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.283

Distribution Coefficient, logD

1.283

Water Solubility, LogSw

-1.98

Polar Surface Area

41.367

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with C790-0536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C790-0536?
Check Price and Availability of C790-0536, 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 C790-0536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C790-0536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C790-0536
  • 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 C790-0536 available by request