8011-5580 Screening compound: 1-[3-nitro-5-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine

8011-5580 Screening compound: 1-[3-nitro-5-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine
8011-5580 Screening compound: 1-[3-nitro-5-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5580
1-[3-nitro-5-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine

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

8011-5580

Molecular Formula

C16H19N3O4 (C16 H19 N3 O4)

Compound Name

1-[3-nitro-5-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine

IUPAC name

1-[3-nitro-5-(pyrrolidine-1-carbonyl)benzoyl]pyrrolidine

SMILES

[O-][N+](c1cc(C(N2CCCC2)=O)cc(C(N2CCCC2)=O)c1)=O

InChI

InChI=1S/C16H19N3O4/c20-15(17-5-1-2-6-17)12-9-13(11-14(10-12)19(22)23)16(21)18-7-3-4-8-18/h9-11H,1-8H2

InChI Key

IPRDGLHFKHQCBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01046414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.683

Distribution Coefficient, logD

1.683

Water Solubility, LogSw

-1.95

Polar Surface Area

67.649

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

-5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8011-5580 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8011-5580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5580?
Check Price and Availability of 8011-5580, 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 8011-5580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5580
  • 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 8011-5580 available by request