1680-0085 Screening compound: N~1~-dibenzo[b,d]furan-3-yl-4-ethoxybenzamide

1680-0085 Screening compound: N~1~-dibenzo[b,d]furan-3-yl-4-ethoxybenzamide
1680-0085 Screening compound: N~1~-dibenzo[b,d]furan-3-yl-4-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1680-0085
N~1~-dibenzo[b,d]furan-3-yl-4-ethoxybenzamide

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

1680-0085

Molecular Formula

C21H17NO3 (C21 H17 NO3)

Compound Name

N~1~-dibenzo[b,d]furan-3-yl-4-ethoxybenzamide

IUPAC name

4-ethoxy-N-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2461012-hexaen-5-yl}benzamide

SMILES

CCOc(cc1)ccc1C(Nc(cc1)cc2c1c(cccc1)c1o2)=O

InChI

InChI=1S/C21H17NO3/c1-2-24-16-10-7-14(8-11-16)21(23)22-15-9-12-18-17-5-3-4-6-19(17)25-20(18)13-15/h3-13H,2H2,1H3,(H,22,23)

InChI Key

LWBXEAYZKLKMKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01032767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.525

Distribution Coefficient, logD

5.525

Water Solubility, LogSw

-5.83

Polar Surface Area

38.368

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

1680-0085 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Infections
  • Immune system
  • animal
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1680-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1680-0085?
Check Price and Availability of 1680-0085, 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 1680-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1680-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1680-0085
  • 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 1680-0085 available by request