K666-0133 Screening compound: 4-{[3-METHYL-4-(3-METHYLPHENYL)PIPERAZIN-1-YL]SULFONYL}-2,1,3-BENZOXADIAZOLE

K666-0133 Screening compound: 4-{[3-METHYL-4-(3-METHYLPHENYL)PIPERAZIN-1-YL]SULFONYL}-2,1,3-BENZOXADIAZOLE
K666-0133 Screening compound: 4-{[3-METHYL-4-(3-METHYLPHENYL)PIPERAZIN-1-YL]SULFONYL}-2,1,3-BENZOXADIAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound K666-0133
4-{[3-METHYL-4-(3-METHYLPHENYL)PIPERAZIN-1-YL]SULFONYL}-2,1,3-BENZOXADIAZOLE

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

K666-0133

Molecular Formula

C18H20N4O3S (C18 H20 N4 O3 S)

Compound Name

4-{[3-METHYL-4-(3-METHYLPHENYL)PIPERAZIN-1-YL]SULFONYL}-2,1,3-BENZOXADIAZOLE

IUPAC name

n/a

SMILES

CC(CN(CC1)S(c2cccc3nonc23)(=O)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C18H20N4O3S/c1-13-5-3-6-15(11-13)22-10-9-21(12-14(22)2)26(23,24)17-8-4-7-16-18(17)20-25-19-16/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m0/s1

InChI Key

ZPFCISSLDFOVAT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15093509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.802

Distribution Coefficient, logD

3.802

Water Solubility, LogSw

-3.87

Polar Surface Area

70.518

Acid Dissociation Constant (pKa)

25.90

Base Dissociation Constant (pKb)

2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

K666-0133 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K666-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K666-0133?
Check Price and Availability of K666-0133, 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 K666-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K666-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K666-0133
  • 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 K666-0133 available by request