3791-0054 Screening compound: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide

3791-0054 Screening compound: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide
3791-0054 Screening compound: N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3791-0054
N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide

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

3791-0054

Molecular Formula

C16H13BrN2O2 (C16 H13 BrN2 O2)

Compound Name

N-[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]propanamide

IUPAC name

N-[2-(2-bromophenyl)-13-benzoxazol-5-yl]propanamide

SMILES

CCC(Nc(cc1)cc2c1oc(-c(cccc1)c1Br)n2)=O

InChI

InChI=1S/C16H13BrN2O2/c1-2-15(20)18-10-7-8-14-13(9-10)19-16(21-14)11-5-3-4-6-12(11)17/h3-9H,2H2,1H3,(H,18,20)

InChI Key

VHPMXIAITVEOMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02210391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.691

Distribution Coefficient, logD

3.691

Water Solubility, LogSw

-3.96

Polar Surface Area

40.198

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3791-0054 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

GABA Library (7115 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Eye
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with 3791-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3791-0054?
Check Price and Availability of 3791-0054, 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 3791-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3791-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3791-0054
  • 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 3791-0054 available by request