4553-2803 Screening compound: 4-bromo-N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]aniline

4553-2803 Screening compound: 4-bromo-N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]aniline
4553-2803 Screening compound: 4-bromo-N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4553-2803
4-bromo-N-[(2-methyl-1H-indol-3-yl)(pyridin-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

4553-2803

Molecular Formula

C21H18BrN3 (C21 H18 BrN3)

Compound Name

4-bromo-N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]aniline

IUPAC name

4-bromo-N-[(2-methyl-1H-indol-3-yl)(pyridin-2-yl)methyl]aniline

SMILES

Cc1c(C(c2ncccc2)Nc(cc2)ccc2Br)c(cccc2)c2[nH]1

InChI

InChI=1S/C21H18BrN3/c1-14-20(17-6-2-3-7-18(17)24-14)21(19-8-4-5-13-23-19)25-16-11-9-15(22)10-12-16/h2-13,21,24-25H,1H3/t21-/m1/s1

InChI Key

FOOGWNKRHOCCLL-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03482271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.3

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.187

Distribution Coefficient, logD

5.186

Water Solubility, LogSw

-5.44

Polar Surface Area

28.527

Acid Dissociation Constant (pKa)

14.69

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

4553-2803 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4553-2803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4553-2803?
Check Price and Availability of 4553-2803, 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 4553-2803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4553-2803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4553-2803
  • 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 4553-2803 available by request