K906-2196 Screening compound: N~2~-(4-bromo-3-methylphenyl)-1-[(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]-2-pyrrolidinecarboxamide

K906-2196 Screening compound: N~2~-(4-bromo-3-methylphenyl)-1-[(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]-2-pyrrolidinecarboxamide
K906-2196 Screening compound: N~2~-(4-bromo-3-methylphenyl)-1-[(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2196
N~2~-(4-bromo-3-methylphenyl)-1-[(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]-2-pyrrolidinecarboxamide

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

K906-2196

Molecular Formula

C21H22BrN3O4S (C21 H22 BrN3 O4 S)

Compound Name

N~2~-(4-bromo-3-methylphenyl)-1-[(2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)sulfonyl]-2-pyrrolidinecarboxamide

IUPAC name

N-(4-bromo-3-methylphenyl)-1-[(2-oxo-1234-tetrahydroquinolin-6-yl)sulfonyl]pyrrolidine-2-carboxamide

SMILES

Cc(cc(cc1)NC(C(CCC2)N2S(c(cc2)cc(CC3)c2NC3=O)(=O)=O)=O)c1Br

InChI

InChI=1S/C21H22BrN3O4S/c1-13-11-15(5-7-17(13)22)23-21(27)19-3-2-10-25(19)30(28,29)16-6-8-18-14(12-16)4-9-20(26)24-18/h5-8,11-12,19H,2-4,9-10H2,1H3,(H,23,27)(H,24,26)/t19-/m0/s1

InChI Key

FYQDQVBAXFVFGC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD15112722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.021

Distribution Coefficient, logD

3.019

Water Solubility, LogSw

-3.42

Polar Surface Area

80.698

Acid Dissociation Constant (pKa)

9.76

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

K906-2196 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K906-2196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2196?
Check Price and Availability of K906-2196, 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 K906-2196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2196
  • 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 K906-2196 available by request