6228-1872 Screening compound: 4-[(2-bromophenoxy)methyl]-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}benzamide

6228-1872 Screening compound: 4-[(2-bromophenoxy)methyl]-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}benzamide
6228-1872 Screening compound: 4-[(2-bromophenoxy)methyl]-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1872
4-[(2-bromophenoxy)methyl]-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}benzamide

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

6228-1872

Molecular Formula

C25H22BrN3O2 (C25 H22 BrN3 O2)

Compound Name

4-[(2-bromophenoxy)methyl]-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}benzamide

IUPAC name

4-[(2-bromophenoxy)methyl]-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}benzamide

SMILES

Cc1c(Cn(cc2)nc2NC(c2ccc(COc(cccc3)c3Br)cc2)=O)cccc1

InChI

InChI=1S/C25H22BrN3O2/c1-18-6-2-3-7-21(18)16-29-15-14-24(28-29)27-25(30)20-12-10-19(11-13-20)17-31-23-9-5-4-8-22(23)26/h2-15H,16-17H2,1H3,(H,27,28,30)

InChI Key

FVBLTQFTHXWIJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02174725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.847

Distribution Coefficient, logD

5.815

Water Solubility, LogSw

-5.63

Polar Surface Area

45.600

Acid Dissociation Constant (pKa)

8.52

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 6228-1872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1872?
Check Price and Availability of 6228-1872, 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 6228-1872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1872
  • 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 6228-1872 available by request