S760-0180 Screening compound: 2-(METHOXYMETHYL)-6-OXO-N-[3-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)PROPYL]PIPERIDINE-3-CARBOXAMIDE

S760-0180 Screening compound: 2-(METHOXYMETHYL)-6-OXO-N-[3-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)PROPYL]PIPERIDINE-3-CARBOXAMIDE
S760-0180 Screening compound: 2-(METHOXYMETHYL)-6-OXO-N-[3-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)PROPYL]PIPERIDINE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S760-0180
2-(METHOXYMETHYL)-6-OXO-N-[3-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)PROPYL]PIPERIDINE-3-CARBOXAMIDE

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

S760-0180

Molecular Formula

C20H29N3O3 (C20 H29 N3 O3)

Compound Name

2-(METHOXYMETHYL)-6-OXO-N-[3-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)PROPYL]PIPERIDINE-3-CARBOXAMIDE

IUPAC name

n/a

SMILES

COC[C@@H]([C@H](CC1)C(NCCCN(CC2)Cc3c2cccc3)=O)NC1=O

InChI

InChI=1S/C20H29N3O3/c1-26-14-18-17(7-8-19(24)22-18)20(25)21-10-4-11-23-12-9-15-5-2-3-6-16(15)13-23/h2-3,5-6,17-18H,4,7-14H2,1H3,(H,21,25)(H,22,24)/t17-,18+/m1/s1

InChI Key

CVQCRKVJQXNTMN-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.878

Distribution Coefficient, logD

-0.326

Water Solubility, LogSw

-2.53

Polar Surface Area

62.472

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

8.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

S760-0180 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S760-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S760-0180?
Check Price and Availability of S760-0180, 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 S760-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S760-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S760-0180
  • 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 S760-0180 available by request