C147-0003 Screening compound: 4-bromo-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]aniline

C147-0003 Screening compound: 4-bromo-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]aniline
C147-0003 Screening compound: 4-bromo-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C147-0003
4-bromo-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]aniline

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

C147-0003

Molecular Formula

C15H14BrN3 (C15 H14 BrN3)

Compound Name

4-bromo-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]aniline

IUPAC name

4-bromo-N-[(1-methyl-1H-13-benzodiazol-2-yl)methyl]aniline

SMILES

Cn1c(cccc2)c2nc1CNc(cc1)ccc1Br

InChI

InChI=1S/C15H14BrN3/c1-19-14-5-3-2-4-13(14)18-15(19)10-17-12-8-6-11(16)7-9-12/h2-9,17H,10H2,1H3

InChI Key

DAMPPXDFGMIGTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00425721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.2

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.993

Distribution Coefficient, logD

3.992

Water Solubility, LogSw

-4.17

Polar Surface Area

22.459

Acid Dissociation Constant (pKa)

16.94

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

C147-0003 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C147-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C147-0003?
Check Price and Availability of C147-0003, 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 C147-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C147-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C147-0003
  • 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 C147-0003 available by request