8011-0387 Screening compound: 4-(5-tert-butyl-2-methylfuran-3-amido)benzoic acid

8011-0387 Screening compound: 4-(5-tert-butyl-2-methylfuran-3-amido)benzoic acid
8011-0387 Screening compound: 4-(5-tert-butyl-2-methylfuran-3-amido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0387
4-(5-tert-butyl-2-methylfuran-3-amido)benzoic 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

8011-0387

Molecular Formula

C17H19NO4 (C17 H19 NO4)

Compound Name

4-(5-tert-butyl-2-methylfuran-3-amido)benzoic acid

IUPAC name

4-(5-tert-butyl-2-methylfuran-3-amido)benzoic acid

SMILES

CC(C)(C)c1cc(C(Nc(cc2)ccc2C(O)=O)=O)c(C)o1

InChI

InChI=1S/C17H19NO4/c1-10-13(9-14(22-10)17(2,3)4)15(19)18-12-7-5-11(6-8-12)16(20)21/h5-9H,1-4H3,(H,18,19)(H,20,21)

InChI Key

DCDCMXNHFGOWSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01907231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.875

Distribution Coefficient, logD

1.479

Water Solubility, LogSw

-3.96

Polar Surface Area

60.063

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

8011-0387 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8011-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0387?
Check Price and Availability of 8011-0387, 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 8011-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0387
  • 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 8011-0387 available by request