L161-0549 Screening compound: (6-{[2-(DIETHYLAMINO)ETHYL]SULFANYL}-3-PYRIDYL){4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINO}METHANONE

L161-0549 Screening compound: (6-{[2-(DIETHYLAMINO)ETHYL]SULFANYL}-3-PYRIDYL){4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINO}METHANONE
L161-0549 Screening compound: (6-{[2-(DIETHYLAMINO)ETHYL]SULFANYL}-3-PYRIDYL){4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINO}METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound L161-0549
(6-{[2-(DIETHYLAMINO)ETHYL]SULFANYL}-3-PYRIDYL){4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINO}METHANONE

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

L161-0549

Molecular Formula

C23H29F3N4OS (C23 H29 F3 N4 OS)

Compound Name

(6-{[2-(DIETHYLAMINO)ETHYL]SULFANYL}-3-PYRIDYL){4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZINO}METHANONE

IUPAC name

n/a

SMILES

CCN(CC)CCSc(cc1)ncc1C(N(CC1)CCN1c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C23H29F3N4OS/c1-3-28(4-2)14-15-32-21-9-8-18(17-27-21)22(31)30-12-10-29(11-13-30)20-7-5-6-19(16-20)23(24,25)26/h5-9,16-17H,3-4,10-15H2,1-2H3

InChI Key

ZKQUKKPAGBMEOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15119937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.957

Distribution Coefficient, logD

2.417

Water Solubility, LogSw

-3.79

Polar Surface Area

32.057

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

8.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

L161-0549 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L161-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L161-0549?
Check Price and Availability of L161-0549, 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 L161-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L161-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L161-0549
  • 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 L161-0549 available by request