8010-1631 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 4-acetamidobenzene-1-sulfonate

8010-1631 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 4-acetamidobenzene-1-sulfonate
8010-1631 Screening compound: 2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 4-acetamidobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1631
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 4-acetamidobenzene-1-sulfonate

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

8010-1631

Molecular Formula

C20H22N2O4S (C20 H22 N2 O4 S)

Compound Name

2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 4-acetamidobenzene-1-sulfonate

IUPAC name

224-trimethyl-12-dihydroquinolin-6-yl 4-acetamidobenzene-1-sulfonate

SMILES

CC1(C)Nc(ccc(OS(c(cc2)ccc2NC(C)=O)(=O)=O)c2)c2C(C)=C1

InChI

InChI=1S/C20H22N2O4S/c1-13-12-20(3,4)22-19-10-7-16(11-18(13)19)26-27(24,25)17-8-5-15(6-9-17)21-14(2)23/h5-12,22H,1-4H3,(H,21,23)

InChI Key

FQDGSIJSQJTYRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.645

Distribution Coefficient, logD

3.645

Water Solubility, LogSw

-3.93

Polar Surface Area

70.461

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8010-1631 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8010-1631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1631?
Check Price and Availability of 8010-1631, 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 8010-1631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1631
  • 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 8010-1631 available by request