6228-2136 Screening compound: 4-bromo-1-{4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]benzoyl}-1H-pyrazole

6228-2136 Screening compound: 4-bromo-1-{4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]benzoyl}-1H-pyrazole
6228-2136 Screening compound: 4-bromo-1-{4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]benzoyl}-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-2136
4-bromo-1-{4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]benzoyl}-1H-pyrazole

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

6228-2136

Molecular Formula

C20H17BrN2O2 (C20 H17 BrN2 O2)

Compound Name

4-bromo-1-{4-[(2,3-dihydro-1H-inden-5-yloxy)methyl]benzoyl}-1H-pyrazole

IUPAC name

4-bromo-1-{4-[(23-dihydro-1H-inden-5-yloxy)methyl]benzoyl}-1H-pyrazole

SMILES

O=C(c1ccc(COc2cc(CCC3)c3cc2)cc1)n1ncc(Br)c1

InChI

InChI=1S/C20H17BrN2O2/c21-18-11-22-23(12-18)20(24)16-6-4-14(5-7-16)13-25-19-9-8-15-2-1-3-17(15)10-19/h4-12H,1-3,13H2

InChI Key

ZFUGWFBQQOMBMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02244116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.448

Distribution Coefficient, logD

4.448

Water Solubility, LogSw

-4.61

Polar Surface Area

35.306

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6228-2136 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 6228-2136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-2136?
Check Price and Availability of 6228-2136, 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 6228-2136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-2136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-2136
  • 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 6228-2136 available by request