8011-5687 Screening compound: 4-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)formamido]butanoic acid

8011-5687 Screening compound: 4-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)formamido]butanoic acid
8011-5687 Screening compound: 4-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)formamido]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-5687
4-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)formamido]butanoic 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

8011-5687

Molecular Formula

C14H19NO4 (C14 H19 NO4)

Compound Name

4-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)formamido]butanoic acid

IUPAC name

4-[(2-methyl-4567-tetrahydro-1-benzofuran-3-yl)formamido]butanoic acid

SMILES

Cc1c(C(NCCCC(O)=O)=O)c(CCCC2)c2o1

InChI

InChI=1S/C14H19NO4/c1-9-13(10-5-2-3-6-11(10)19-9)14(18)15-8-4-7-12(16)17/h2-8H2,1H3,(H,15,18)(H,16,17)

InChI Key

JDYVVIFWXCTKNH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02222758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.967

Distribution Coefficient, logD

-1.854

Water Solubility, LogSw

-1.26

Polar Surface Area

61.297

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

8011-5687 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Annotated Library (21441 compounds)

Arginase Targeted Library (2009 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8011-5687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-5687?
Check Price and Availability of 8011-5687, 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 8011-5687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-5687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-5687
  • 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 8011-5687 available by request