5468-0142 Screening compound: methyl 4-(1-benzofuran-2-amido)-5-chloro-2-methoxybenzoate

5468-0142 Screening compound: methyl 4-(1-benzofuran-2-amido)-5-chloro-2-methoxybenzoate
5468-0142 Screening compound: methyl 4-(1-benzofuran-2-amido)-5-chloro-2-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5468-0142
methyl 4-(1-benzofuran-2-amido)-5-chloro-2-methoxybenzoate

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

5468-0142

Molecular Formula

C18H14ClNO5 (C18 H14 ClNO5)

Compound Name

methyl 4-(1-benzofuran-2-amido)-5-chloro-2-methoxybenzoate

IUPAC name

methyl 4-(1-benzofuran-2-amido)-5-chloro-2-methoxybenzoate

SMILES

COC(c(c(OC)c1)cc(Cl)c1NC(c1cc(cccc2)c2o1)=O)=O

InChI

InChI=1S/C18H14ClNO5/c1-23-15-9-13(12(19)8-11(15)18(22)24-2)20-17(21)16-7-10-5-3-4-6-14(10)25-16/h3-9H,1-2H3,(H,20,21)

InChI Key

VFKPQBNEIQOEPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01847975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.964

Distribution Coefficient, logD

4.354

Water Solubility, LogSw

-5.30

Polar Surface Area

59.729

Acid Dissociation Constant (pKa)

6.91

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5468-0142 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human Receptors Annotated Library (5376 compounds)

SH2 Library (10483 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with 5468-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5468-0142?
Check Price and Availability of 5468-0142, 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 5468-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5468-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5468-0142
  • 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 5468-0142 available by request