K784-1030 Screening compound: N-(sec-butyl)-6-{[4-chloro(methyl)anilino]sulfonyl}-4-oxo-1,4-dihydro-3-quinolinecarboxamide

K784-1030 Screening compound: N-(sec-butyl)-6-{[4-chloro(methyl)anilino]sulfonyl}-4-oxo-1,4-dihydro-3-quinolinecarboxamide
K784-1030 Screening compound: N-(sec-butyl)-6-{[4-chloro(methyl)anilino]sulfonyl}-4-oxo-1,4-dihydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-1030
N-(sec-butyl)-6-{[4-chloro(methyl)anilino]sulfonyl}-4-oxo-1,4-dihydro-3-quinolinecarboxamide

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

K784-1030

Molecular Formula

C21H22ClN3O4S (C21 H22 ClN3 O4 S)

Compound Name

N-(sec-butyl)-6-{[4-chloro(methyl)anilino]sulfonyl}-4-oxo-1,4-dihydro-3-quinolinecarboxamide

IUPAC name

N-(butan-2-yl)-6-[(4-chlorophenyl)(methyl)sulfamoyl]-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CCC(C)NC(C1=CNc(ccc(S(N(C)c(cc2)ccc2Cl)(=O)=O)c2)c2C1=O)=O

InChI

InChI=1S/C21H22ClN3O4S/c1-4-13(2)24-21(27)18-12-23-19-10-9-16(11-17(19)20(18)26)30(28,29)25(3)15-7-5-14(22)6-8-15/h5-13H,4H2,1-3H3,(H,23,26)(H,24,27)/t13-/m0/s1

InChI Key

WEBFOPHJLJGZAX-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15097003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.655

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-4.16

Polar Surface Area

81.305

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

K784-1030 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K784-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-1030?
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What is the minimum amount of K784-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-1030
  • 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 K784-1030 available by request