8011-6991 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)benzo[f]quinoline-1-carboxylic acid

8011-6991 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)benzo[f]quinoline-1-carboxylic acid
8011-6991 Screening compound: 3-(3,5-di-tert-butyl-4-hydroxyphenyl)benzo[f]quinoline-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-6991
3-(3,5-di-tert-butyl-4-hydroxyphenyl)benzo[f]quinoline-1-carboxylic acid

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

8011-6991

Molecular Formula

C28H29NO3 (C28 H29 NO3)

Compound Name

3-(3,5-di-tert-butyl-4-hydroxyphenyl)benzo[f]quinoline-1-carboxylic acid

IUPAC name

3-(35-di-tert-butyl-4-hydroxyphenyl)benzo[f]quinoline-1-carboxylic acid

SMILES

CC(C)(C)c1cc(-c2nc3ccc(cccc4)c4c3c(C(O)=O)c2)cc(C(C)(C)C)c1O

InChI

InChI=1S/C28H29NO3/c1-27(2,3)20-13-17(14-21(25(20)30)28(4,5)6)23-15-19(26(31)32)24-18-10-8-7-9-16(18)11-12-22(24)29-23/h7-15,30H,1-6H3,(H,31,32)

InChI Key

WKZZXGSPJLZUAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.906

Distribution Coefficient, logD

2.910

Water Solubility, LogSw

-6.78

Polar Surface Area

51.913

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8011-6991 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8011-6991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-6991?
Check Price and Availability of 8011-6991, 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 8011-6991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-6991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-6991
  • 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 8011-6991 available by request