C517-0906 Screening compound: 2-{[(1-ACETYL-1,2,3,4-TETRAHYDRO-6-QUINOLINYL)SULFONYL]AMINO}-N-(4-METHOXYBENZYL)-3-METHYLBUTANAMIDE

C517-0906 Screening compound: 2-{[(1-ACETYL-1,2,3,4-TETRAHYDRO-6-QUINOLINYL)SULFONYL]AMINO}-N-(4-METHOXYBENZYL)-3-METHYLBUTANAMIDE
C517-0906 Screening compound: 2-{[(1-ACETYL-1,2,3,4-TETRAHYDRO-6-QUINOLINYL)SULFONYL]AMINO}-N-(4-METHOXYBENZYL)-3-METHYLBUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C517-0906
2-{[(1-ACETYL-1,2,3,4-TETRAHYDRO-6-QUINOLINYL)SULFONYL]AMINO}-N-(4-METHOXYBENZYL)-3-METHYLBUTANAMIDE

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

C517-0906

Molecular Formula

C24H31N3O5S (C24 H31 N3 O5 S)

Compound Name

2-{[(1-ACETYL-1,2,3,4-TETRAHYDRO-6-QUINOLINYL)SULFONYL]AMINO}-N-(4-METHOXYBENZYL)-3-METHYLBUTANAMIDE

IUPAC name

n/a

SMILES

CC(C)C(C(NCc(cc1)ccc1OC)=O)NS(c(cc1)cc(CCC2)c1N2C(C)=O)(=O)=O

InChI

InChI=1S/C24H31N3O5S/c1-16(2)23(24(29)25-15-18-7-9-20(32-4)10-8-18)26-33(30,31)21-11-12-22-19(14-21)6-5-13-27(22)17(3)28/h7-12,14,16,23,26H,5-6,13,15H2,1-4H3,(H,25,29)/t23-/m0/s1

InChI Key

UMFOWXQQCJVAAV-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14763679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.507

Distribution Coefficient, logD

2.507

Water Solubility, LogSw

-2.90

Polar Surface Area

89.843

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

C517-0906 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C517-0906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C517-0906?
Check Price and Availability of C517-0906, 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 C517-0906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C517-0906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C517-0906
  • 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 C517-0906 available by request