C267-0405 Screening compound: N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

C267-0405 Screening compound: N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
C267-0405 Screening compound: N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C267-0405
N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

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

C267-0405

Molecular Formula

C27H31F3N6S (C27 H31 F3 N6 S)

Compound Name

N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

IUPAC name

N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

SMILES

Cc1c(cc(cc2)NC(N(CC3)CCN3c3cc(C(F)(F)F)ccc3)=S)c2nc(N2CCN(C)CC2)c1

InChI

InChI=1S/C27H31F3N6S/c1-19-16-25(35-10-8-33(2)9-11-35)32-24-7-6-21(18-23(19)24)31-26(37)36-14-12-34(13-15-36)22-5-3-4-20(17-22)27(28,29)30/h3-7,16-18H,8-15H2,1-2H3,(H,31,37)

InChI Key

OQZDUMOQLIHZSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.948

Distribution Coefficient, logD

5.378

Water Solubility, LogSw

-5.91

Polar Surface Area

29.120

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C267-0405 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C267-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C267-0405?
Check Price and Availability of C267-0405, 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 C267-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C267-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C267-0405
  • 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 C267-0405 available by request