3057-1175 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-bromobenzamide

3057-1175 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-bromobenzamide
3057-1175 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-bromobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3057-1175
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-bromobenzamide

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

3057-1175

Molecular Formula

C16H14BrN3O (C16 H14 BrN3 O)

Compound Name

N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-bromobenzamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-3-bromobenzamide

SMILES

O=C(c1cccc(Br)c1)NCCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C16H14BrN3O/c17-12-5-3-4-11(10-12)16(21)18-9-8-15-19-13-6-1-2-7-14(13)20-15/h1-7,10H,8-9H2,(H,18,21)(H,19,20)

InChI Key

HKYPRNSPCNMSQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01874334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

3.346

Water Solubility, LogSw

-3.69

Polar Surface Area

44.775

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

3057-1175 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with 3057-1175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3057-1175?
Check Price and Availability of 3057-1175, 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 3057-1175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3057-1175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3057-1175
  • 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 3057-1175 available by request