3156-2417 Screening compound: 2-(4-bromophenoxy)-N~1~-dibenzo[b,d]furan-3-ylacetamide

3156-2417 Screening compound: 2-(4-bromophenoxy)-N~1~-dibenzo[b,d]furan-3-ylacetamide
3156-2417 Screening compound: 2-(4-bromophenoxy)-N~1~-dibenzo[b,d]furan-3-ylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3156-2417
2-(4-bromophenoxy)-N~1~-dibenzo[b,d]furan-3-ylacetamide

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

3156-2417

Molecular Formula

C20H14BrNO3 (C20 H14 BrNO3)

Compound Name

2-(4-bromophenoxy)-N~1~-dibenzo[b,d]furan-3-ylacetamide

IUPAC name

2-(4-bromophenoxy)-N-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-5-yl}acetamide

SMILES

O=C(COc(cc1)ccc1Br)Nc(cc1)cc2c1c(cccc1)c1o2

InChI

InChI=1S/C20H14BrNO3/c21-13-5-8-15(9-6-13)24-12-20(23)22-14-7-10-17-16-3-1-2-4-18(16)25-19(17)11-14/h1-11H,12H2,(H,22,23)

InChI Key

NITSZQGAYWEOCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02086405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.24

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

6.024

Distribution Coefficient, logD

6.024

Water Solubility, LogSw

-6.22

Polar Surface Area

38.530

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

3156-2417 in Drug Discovery

Included in Screening Libraries

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

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3156-2417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3156-2417?
Check Price and Availability of 3156-2417, 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 3156-2417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3156-2417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3156-2417
  • 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 3156-2417 available by request