5504-0346 Screening compound: N-(4-bromophenyl)-5-ethylfuran-2-carboxamide

5504-0346 Screening compound: N-(4-bromophenyl)-5-ethylfuran-2-carboxamide
5504-0346 Screening compound: N-(4-bromophenyl)-5-ethylfuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5504-0346
N-(4-bromophenyl)-5-ethylfuran-2-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

5504-0346

Molecular Formula

C13H12BrNO2 (C13 H12 BrNO2)

Compound Name

N-(4-bromophenyl)-5-ethylfuran-2-carboxamide

IUPAC name

N-(4-bromophenyl)-5-ethylfuran-2-carboxamide

SMILES

CCc1ccc(C(Nc(cc2)ccc2Br)=O)o1

InChI

InChI=1S/C13H12BrNO2/c1-2-11-7-8-12(17-11)13(16)15-10-5-3-9(14)4-6-10/h3-8H,2H2,1H3,(H,15,16)

InChI Key

KBSCKPRHZCAVGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03502278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.15

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.184

Distribution Coefficient, logD

4.183

Water Solubility, LogSw

-4.17

Polar Surface Area

31.171

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

5504-0346 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Fragments
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5504-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5504-0346?
Check Price and Availability of 5504-0346, 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 5504-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5504-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5504-0346
  • 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 5504-0346 available by request