6228-1250 Screening compound: 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid

6228-1250 Screening compound: 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid
6228-1250 Screening compound: 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1250
4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid

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

6228-1250

Molecular Formula

C13H13BrN2O2 (C13 H13 BrN2 O2)

Compound Name

4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid

IUPAC name

4-[(4-bromo-35-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid

SMILES

Cc(n(Cc(cc1)ccc1C(O)=O)nc1C)c1Br

InChI

InChI=1S/C13H13BrN2O2/c1-8-12(14)9(2)16(15-8)7-10-3-5-11(6-4-10)13(17)18/h3-6H,7H2,1-2H3,(H,17,18)

InChI Key

RRGZDXPJSNTEEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01858029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.16

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

-0.300

Water Solubility, LogSw

-2.58

Polar Surface Area

42.928

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

6228-1250 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6228-1250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1250?
Check Price and Availability of 6228-1250, 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 6228-1250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1250
  • 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 6228-1250 available by request