K917-1111 Screening compound: 6-[(4-bromophenyl)(methyl)sulfamoyl]-N-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

K917-1111 Screening compound: 6-[(4-bromophenyl)(methyl)sulfamoyl]-N-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
K917-1111 Screening compound: 6-[(4-bromophenyl)(methyl)sulfamoyl]-N-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K917-1111
6-[(4-bromophenyl)(methyl)sulfamoyl]-N-(2,2-dimethoxyethyl)-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

K917-1111

Molecular Formula

C21H22BrN3O6S (C21 H22 BrN3 O6 S)

Compound Name

6-[(4-bromophenyl)(methyl)sulfamoyl]-N-(2,2-dimethoxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

6-[(4-bromophenyl)(methyl)sulfamoyl]-N-(22-dimethoxyethyl)-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CN(c(cc1)ccc1Br)S(c(cc1)cc2c1NC=C(C(NCC(OC)OC)=O)C2=O)(=O)=O

InChI

InChI=1S/C21H22BrN3O6S/c1-25(14-6-4-13(22)5-7-14)32(28,29)15-8-9-18-16(10-15)20(26)17(11-23-18)21(27)24-12-19(30-2)31-3/h4-11,19H,12H2,1-3H3,(H,23,26)(H,24,27)

InChI Key

NGQODBZOTHDPRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15114611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.39

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.383

Distribution Coefficient, logD

1.322

Water Solubility, LogSw

-3.12

Polar Surface Area

97.358

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with K917-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K917-1111?
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What is the minimum amount of K917-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K917-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K917-1111
  • 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 K917-1111 available by request