C686-1509 Screening compound: ethyl 3-(9H-xanthene-9-amido)-1-benzofuran-2-carboxylate

C686-1509 Screening compound: ethyl 3-(9H-xanthene-9-amido)-1-benzofuran-2-carboxylate
C686-1509 Screening compound: ethyl 3-(9H-xanthene-9-amido)-1-benzofuran-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-1509
ethyl 3-(9H-xanthene-9-amido)-1-benzofuran-2-carboxylate

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

C686-1509

Molecular Formula

C25H19NO5 (C25 H19 NO5)

Compound Name

ethyl 3-(9H-xanthene-9-amido)-1-benzofuran-2-carboxylate

IUPAC name

ethyl 3-(9H-xanthene-9-amido)-1-benzofuran-2-carboxylate

SMILES

CCOC(c(oc1c2cccc1)c2NC(C1c(cccc2)c2Oc2c1cccc2)=O)=O

InChI

InChI=1S/C25H19NO5/c1-2-29-25(28)23-22(17-11-5-8-14-20(17)31-23)26-24(27)21-15-9-3-6-12-18(15)30-19-13-7-4-10-16(19)21/h3-14,21H,2H2,1H3,(H,26,27)

InChI Key

BDMYBTPXKORWLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.43

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

4.908

Distribution Coefficient, logD

-2.393

Water Solubility, LogSw

-4.82

Polar Surface Area

58.027

Acid Dissociation Constant (pKa)

0.10

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C686-1509 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C686-1509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-1509?
Check Price and Availability of C686-1509, 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 C686-1509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-1509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-1509
  • 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 C686-1509 available by request