C340-0169 Screening compound: N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

C340-0169 Screening compound: N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
C340-0169 Screening compound: N-[4-methyl-2-(pyrrolidin-1-yl)quinolin-6-yl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C340-0169
N-[4-methyl-2-(pyrrolidin-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

C340-0169

Molecular Formula

C26H28F3N5S (C26 H28 F3 N5 S)

Compound Name

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

IUPAC name

N-[4-methyl-2-(pyrrolidin-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(N2CCCC2)c1

InChI

InChI=1S/C26H28F3N5S/c1-18-15-24(33-9-2-3-10-33)31-23-8-7-20(17-22(18)23)30-25(35)34-13-11-32(12-14-34)21-6-4-5-19(16-21)26(27,28)29/h4-8,15-17H,2-3,9-14H2,1H3,(H,30,35)

InChI Key

HVCZIUZWJRCDKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.695

Distribution Coefficient, logD

6.695

Water Solubility, LogSw

-6.05

Polar Surface Area

26.010

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with C340-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C340-0169?
Check Price and Availability of C340-0169, 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 C340-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C340-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C340-0169
  • 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 C340-0169 available by request