L707-0086 Screening compound: 1-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

L707-0086 Screening compound: 1-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one
L707-0086 Screening compound: 1-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L707-0086
1-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

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

L707-0086

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

1-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

IUPAC name

1-[2-oxo-2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-7-(pyrrolidine-1-sulfonyl)-2345-tetrahydro-1H-1-benzazepin-2-one

SMILES

O=C(CN(c(cc1)c(CCC2)cc1S(N1CCCC1)(=O)=O)C2=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C25H29N3O4S/c29-24-9-5-8-20-16-22(33(31,32)27-13-3-4-14-27)10-11-23(20)28(24)18-25(30)26-15-12-19-6-1-2-7-21(19)17-26/h1-2,6-7,10-11,16H,3-5,8-9,12-15,17-18H2

InChI Key

SETBTRXJPDIMOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27471920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.217

Distribution Coefficient, logD

3.217

Water Solubility, LogSw

-3.63

Polar Surface Area

64.081

Acid Dissociation Constant (pKa)

22.17

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

L707-0086 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L707-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L707-0086?
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What is the minimum amount of L707-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L707-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L707-0086
  • 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 L707-0086 available by request