C686-0943 Screening compound: ethyl ({2-[(4-ethoxyphenyl)carbamoyl]-1-benzofuran-3-yl}carbamoyl)formate

C686-0943 Screening compound: ethyl ({2-[(4-ethoxyphenyl)carbamoyl]-1-benzofuran-3-yl}carbamoyl)formate
C686-0943 Screening compound: ethyl ({2-[(4-ethoxyphenyl)carbamoyl]-1-benzofuran-3-yl}carbamoyl)formate alternative view

Chemical Structure Depiction of ChemDiv screening compound C686-0943
ethyl ({2-[(4-ethoxyphenyl)carbamoyl]-1-benzofuran-3-yl}carbamoyl)formate

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

C686-0943

Molecular Formula

C21H20N2O6 (C21 H20 N2 O6)

Compound Name

ethyl ({2-[(4-ethoxyphenyl)carbamoyl]-1-benzofuran-3-yl}carbamoyl)formate

IUPAC name

ethyl ({2-[(4-ethoxyphenyl)carbamoyl]-1-benzofuran-3-yl}carbamoyl)formate

SMILES

CCOC(C(Nc1c(C(Nc(cc2)ccc2OCC)=O)oc2c1cccc2)=O)=O

InChI

InChI=1S/C21H20N2O6/c1-3-27-14-11-9-13(10-12-14)22-19(24)18-17(23-20(25)21(26)28-4-2)15-7-5-6-8-16(15)29-18/h5-12H,3-4H2,1-2H3,(H,22,24)(H,23,25)

InChI Key

MHUJQDJSUXNYSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

2.391

Water Solubility, LogSw

-3.38

Polar Surface Area

81.700

Acid Dissociation Constant (pKa)

6.47

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C686-0943 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C686-0943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C686-0943?
Check Price and Availability of C686-0943, 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 C686-0943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C686-0943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C686-0943
  • 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 C686-0943 available by request