K906-2078 Screening compound: N-cycloheptyl-3-(1H-indol-3-yl)-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)propanamide

K906-2078 Screening compound: N-cycloheptyl-3-(1H-indol-3-yl)-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)propanamide
K906-2078 Screening compound: N-cycloheptyl-3-(1H-indol-3-yl)-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K906-2078
N-cycloheptyl-3-(1H-indol-3-yl)-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)propanamide

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

K906-2078

Molecular Formula

C27H32N4O4S (C27 H32 N4 O4 S)

Compound Name

N-cycloheptyl-3-(1H-indol-3-yl)-2-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonamido)propanamide

IUPAC name

N-cycloheptyl-3-(1H-indol-3-yl)-2-(2-oxo-1234-tetrahydroquinoline-6-sulfonamido)propanamide

SMILES

O=C(C(Cc1c[nH]c2c1cccc2)NS(c(cc1)cc(CC2)c1NC2=O)(=O)=O)NC1CCCCCC1

InChI

InChI=1S/C27H32N4O4S/c32-26-14-11-18-15-21(12-13-23(18)30-26)36(34,35)31-25(27(33)29-20-7-3-1-2-4-8-20)16-19-17-28-24-10-6-5-9-22(19)24/h5-6,9-10,12-13,15,17,20,25,28,31H,1-4,7-8,11,14,16H2,(H,29,33)(H,30,32)/t25-/m0/s1

InChI Key

KSBNJBJOXAPNRF-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15112690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.64

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.409

Distribution Coefficient, logD

4.408

Water Solubility, LogSw

-4.28

Polar Surface Area

101.002

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

K906-2078 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CORONAVIRUS Library (20774 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K906-2078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K906-2078?
Check Price and Availability of K906-2078, 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 K906-2078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K906-2078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K906-2078
  • 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 K906-2078 available by request