P511-1629 Screening compound: 5-(azepane-1-sulfonyl)-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1,2-dihydropyridin-2-one

P511-1629 Screening compound: 5-(azepane-1-sulfonyl)-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1,2-dihydropyridin-2-one
P511-1629 Screening compound: 5-(azepane-1-sulfonyl)-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1,2-dihydropyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P511-1629
5-(azepane-1-sulfonyl)-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1,2-dihydropyridin-2-one

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

P511-1629

Molecular Formula

C22H27N3O4S (C22 H27 N3 O4 S)

Compound Name

5-(azepane-1-sulfonyl)-1-[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]-1,2-dihydropyridin-2-one

IUPAC name

5-(azepane-1-sulfonyl)-1-[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]-12-dihydropyridin-2-one

SMILES

O=C(CN(C=C(C=C1)S(N2CCCCCC2)(=O)=O)C1=O)N(CCC1)c2c1cccc2

InChI

InChI=1S/C22H27N3O4S/c26-21-12-11-19(30(28,29)24-13-5-1-2-6-14-24)16-23(21)17-22(27)25-15-7-9-18-8-3-4-10-20(18)25/h3-4,8,10-12,16H,1-2,5-7,9,13-15,17H2

InChI Key

UUMDXTZWSJRWOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22596457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.008

Distribution Coefficient, logD

2.008

Water Solubility, LogSw

-2.46

Polar Surface Area

63.848

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

P511-1629 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P511-1629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P511-1629?
Check Price and Availability of P511-1629, 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 P511-1629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P511-1629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P511-1629
  • 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 P511-1629 available by request