C066-2626 Screening compound: 6-isothiocyanato-4-methyl-2-(4-methylpiperazin-1-yl)quinoline

C066-2626 Screening compound: 6-isothiocyanato-4-methyl-2-(4-methylpiperazin-1-yl)quinoline
C066-2626 Screening compound: 6-isothiocyanato-4-methyl-2-(4-methylpiperazin-1-yl)quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2626
6-isothiocyanato-4-methyl-2-(4-methylpiperazin-1-yl)quinoline

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

C066-2626

Molecular Formula

C16H18N4S (C16 H18 N4 S)

Compound Name

6-isothiocyanato-4-methyl-2-(4-methylpiperazin-1-yl)quinoline

IUPAC name

6-isothiocyanato-4-methyl-2-(4-methylpiperazin-1-yl)quinoline

SMILES

Cc1c(cc(cc2)N=C=S)c2nc(N2CCN(C)CC2)c1

InChI

InChI=1S/C16H18N4S/c1-12-9-16(20-7-5-19(2)6-8-20)18-15-4-3-13(17-11-21)10-14(12)15/h3-4,9-10H,5-8H2,1-2H3

InChI Key

CLHUYUUIBNMVSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.776

Distribution Coefficient, logD

4.206

Water Solubility, LogSw

-4.64

Polar Surface Area

23.672

Acid Dissociation Constant (pKa)

23.91

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C066-2626 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C066-2626 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2626?
Check Price and Availability of C066-2626, 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 C066-2626 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2626
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2626
  • 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 C066-2626 available by request