K659-0366 Screening compound: 2-{[2-(4-chlorophenyl)ethyl]amino}-5-(4-methylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

K659-0366 Screening compound: 2-{[2-(4-chlorophenyl)ethyl]amino}-5-(4-methylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide
K659-0366 Screening compound: 2-{[2-(4-chlorophenyl)ethyl]amino}-5-(4-methylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K659-0366
2-{[2-(4-chlorophenyl)ethyl]amino}-5-(4-methylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

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

K659-0366

Molecular Formula

C27H28ClF3N4O3S (C27 H28 ClF3 N4 O3 S)

Compound Name

2-{[2-(4-chlorophenyl)ethyl]amino}-5-(4-methylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

IUPAC name

2-{[2-(4-chlorophenyl)ethyl]amino}-5-(4-methylpiperazine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzene-1-sulfonamide

SMILES

CN(CC1)CCN1C(c(cc1)cc(S(Nc2cc(C(F)(F)F)ccc2)(=O)=O)c1NCCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C27H28ClF3N4O3S/c1-34-13-15-35(16-14-34)26(36)20-7-10-24(32-12-11-19-5-8-22(28)9-6-19)25(17-20)39(37,38)33-23-4-2-3-21(18-23)27(29,30)31/h2-10,17-18,32-33H,11-16H2,1H3

InChI Key

GBAQYMMMTJBNKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04421596

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.526

Distribution Coefficient, logD

2.777

Water Solubility, LogSw

-4.61

Polar Surface Area

70.391

Acid Dissociation Constant (pKa)

5.66

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

K659-0366 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with K659-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K659-0366?
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What is the minimum amount of K659-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K659-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K659-0366
  • 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 K659-0366 available by request