L815-0561 Screening compound: 3-(4-methylbenzenesulfonamido)-N-[2-oxo-1-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]propanamide

L815-0561 Screening compound: 3-(4-methylbenzenesulfonamido)-N-[2-oxo-1-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]propanamide
L815-0561 Screening compound: 3-(4-methylbenzenesulfonamido)-N-[2-oxo-1-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L815-0561
3-(4-methylbenzenesulfonamido)-N-[2-oxo-1-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]propanamide

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

L815-0561

Molecular Formula

C27H29N3O4S (C27 H29 N3 O4 S)

Compound Name

3-(4-methylbenzenesulfonamido)-N-[2-oxo-1-phenyl-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]propanamide

IUPAC name

3-(4-methylbenzenesulfonamido)-N-[2-oxo-1-phenyl-2-(1234-tetrahydroquinolin-1-yl)ethyl]propanamide

SMILES

Cc(cc1)ccc1S(NCCC(NC(C(N(CCC1)c2c1cccc2)=O)c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C27H29N3O4S/c1-20-13-15-23(16-14-20)35(33,34)28-18-17-25(31)29-26(22-9-3-2-4-10-22)27(32)30-19-7-11-21-8-5-6-12-24(21)30/h2-6,8-10,12-16,26,28H,7,11,17-19H2,1H3,(H,29,31)/t26-/m1/s1

InChI Key

YEXRAUGEHJMVGR-AREMUKBSSA-N

MDL Number (MFCD)

MFCD27477194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.938

Distribution Coefficient, logD

3.936

Water Solubility, LogSw

-3.97

Polar Surface Area

80.975

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

L815-0561 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L815-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L815-0561?
Check Price and Availability of L815-0561, 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 L815-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L815-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L815-0561
  • 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 L815-0561 available by request