K786-2501 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline-4-carboxamide

K786-2501 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline-4-carboxamide
K786-2501 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2501
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline-4-carboxamide

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

K786-2501

Molecular Formula

C27H24N4O6S (C27 H24 N4 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-(morpholine-4-sulfonyl)-2-(pyridin-2-yl)quinoline-4-carboxamide

SMILES

O=C(c1c(cc(cc2)S(N3CCOCC3)(=O)=O)c2nc(-c2ncccc2)c1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C27H24N4O6S/c32-27(29-16-18-4-7-25-26(13-18)37-17-36-25)21-15-24(23-3-1-2-8-28-23)30-22-6-5-19(14-20(21)22)38(33,34)31-9-11-35-12-10-31/h1-8,13-15H,9-12,16-17H2,(H,29,32)

InChI Key

XFJBXSDKDLEELV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.535

Distribution Coefficient, logD

3.535

Water Solubility, LogSw

-3.82

Polar Surface Area

98.494

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K786-2501 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K786-2501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2501?
Check Price and Availability of K786-2501, 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 K786-2501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2501
  • 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 K786-2501 available by request