C686-0227 Screening compound: N-{2-[(2-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-9H-xanthene-9-carboxamide

C686-0227 Screening compound: N-{2-[(2-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-9H-xanthene-9-carboxamide
C686-0227 Screening compound: N-{2-[(2-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-0227
N-{2-[(2-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-9H-xanthene-9-carboxamide

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

C686-0227

Molecular Formula

C30H22N2O5 (C30 H22 N2 O5)

Compound Name

N-{2-[(2-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-9H-xanthene-9-carboxamide

IUPAC name

N-{2-[(2-methoxyphenyl)carbamoyl]-1-benzofuran-3-yl}-9H-xanthene-9-carboxamide

SMILES

COc(cccc1)c1NC(c(oc1c2cccc1)c2NC(C1c(cccc2)c2Oc2c1cccc2)=O)=O

InChI

InChI=1S/C30H22N2O5/c1-35-25-17-9-5-13-21(25)31-30(34)28-27(20-12-4-8-16-24(20)37-28)32-29(33)26-18-10-2-6-14-22(18)36-23-15-7-3-11-19(23)26/h2-17,26H,1H3,(H,31,34)(H,32,33)

InChI Key

BEBBTYMOXYPKMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.626

Distribution Coefficient, logD

-1.675

Water Solubility, LogSw

-5.91

Polar Surface Area

67.297

Acid Dissociation Constant (pKa)

0.10

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

C686-0227 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Immune system
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C686-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-0227?
Check Price and Availability of C686-0227, 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 C686-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-0227
  • 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 C686-0227 available by request