C686-0580 Screening compound: N-{2-[(2-fluorophenyl)carbamoyl]-1-benzofuran-3-yl}-9H-xanthene-9-carboxamide

C686-0580 Screening compound: N-{2-[(2-fluorophenyl)carbamoyl]-1-benzofuran-3-yl}-9H-xanthene-9-carboxamide
C686-0580 Screening compound: N-{2-[(2-fluorophenyl)carbamoyl]-1-benzofuran-3-yl}-9H-xanthene-9-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-0580
N-{2-[(2-fluorophenyl)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

C686-0580

Molecular Formula

C29H19FN2O4 (C29 H19 FN2 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1c(cccc2)c2Oc2c1cccc2)Nc1c(C(Nc(cccc2)c2F)=O)oc2c1cccc2

InChI

InChI=1S/C29H19FN2O4/c30-20-12-4-5-13-21(20)31-29(34)27-26(19-11-3-8-16-24(19)36-27)32-28(33)25-17-9-1-6-14-22(17)35-23-15-7-2-10-18(23)25/h1-16,25H,(H,31,34)(H,32,33)

InChI Key

GIBYXJCDDPOMDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.653

Distribution Coefficient, logD

-1.648

Water Solubility, LogSw

-6.15

Polar Surface Area

59.667

Acid Dissociation Constant (pKa)

0.10

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

C686-0580 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • GPCR
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C686-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-0580?
Check Price and Availability of C686-0580, 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 C686-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-0580
  • 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 C686-0580 available by request