K917-1122 Screening compound: 6-[(4-bromophenyl)(methyl)sulfamoyl]-N-butyl-4-oxo-1,4-dihydroquinoline-3-carboxamide

K917-1122 Screening compound: 6-[(4-bromophenyl)(methyl)sulfamoyl]-N-butyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
K917-1122 Screening compound: 6-[(4-bromophenyl)(methyl)sulfamoyl]-N-butyl-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K917-1122
6-[(4-bromophenyl)(methyl)sulfamoyl]-N-butyl-4-oxo-1,4-dihydroquinoline-3-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

K917-1122

Molecular Formula

C21H22BrN3O4S (C21 H22 BrN3 O4 S)

Compound Name

6-[(4-bromophenyl)(methyl)sulfamoyl]-N-butyl-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

6-[(4-bromophenyl)(methyl)sulfamoyl]-N-butyl-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CCCCNC(C1=CNc(ccc(S(N(C)c(cc2)ccc2Br)(=O)=O)c2)c2C1=O)=O

InChI

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

InChI Key

BPLLNOCYPYLHDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15114615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.147

Distribution Coefficient, logD

3.086

Water Solubility, LogSw

-4.20

Polar Surface Area

81.705

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

K917-1122 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K917-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K917-1122?
Check Price and Availability of K917-1122, 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 K917-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K917-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K917-1122
  • 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 K917-1122 available by request