P511-0020 Screening compound: 2-[2-oxo-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-1-yl]acetonitrile

P511-0020 Screening compound: 2-[2-oxo-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-1-yl]acetonitrile
P511-0020 Screening compound: 2-[2-oxo-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-1-yl]acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P511-0020
2-[2-oxo-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-1-yl]acetonitrile

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

P511-0020

Molecular Formula

C11H13N3O3S (C11 H13 N3 O3 S)

Compound Name

2-[2-oxo-5-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-1-yl]acetonitrile

IUPAC name

2-[2-oxo-5-(pyrrolidine-1-sulfonyl)-12-dihydropyridin-1-yl]acetonitrile

SMILES

N#CCN(C=C(C=C1)S(N2CCCC2)(=O)=O)C1=O

InChI

InChI=1S/C11H13N3O3S/c12-5-8-13-9-10(3-4-11(13)15)18(16,17)14-6-1-2-7-14/h3-4,9H,1-2,6-8H2

InChI Key

QDQHEWCVMIIATL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10592799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.450

Distribution Coefficient, logD

-0.450

Water Solubility, LogSw

-1.04

Polar Surface Area

66.568

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

P511-0020 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P511-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P511-0020?
Check Price and Availability of P511-0020, 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 P511-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P511-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P511-0020
  • 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 P511-0020 available by request