5830-1326 Screening compound: 1-(3-bromo-4-methylbenzoyl)-3,5-dimethyl-1H-pyrazole

5830-1326 Screening compound: 1-(3-bromo-4-methylbenzoyl)-3,5-dimethyl-1H-pyrazole
5830-1326 Screening compound: 1-(3-bromo-4-methylbenzoyl)-3,5-dimethyl-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 5830-1326
1-(3-bromo-4-methylbenzoyl)-3,5-dimethyl-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

5830-1326

Molecular Formula

C13H13BrN2O (C13 H13 BrN2 O)

Compound Name

1-(3-bromo-4-methylbenzoyl)-3,5-dimethyl-1H-pyrazole

IUPAC name

1-(3-bromo-4-methylbenzoyl)-35-dimethyl-1H-pyrazole

SMILES

Cc1cc(C)nn1C(c1cc(Br)c(C)cc1)=O

InChI

InChI=1S/C13H13BrN2O/c1-8-4-5-11(7-12(8)14)13(17)16-10(3)6-9(2)15-16/h4-7H,1-3H3

InChI Key

OGQYSDBPQYKQTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03176592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.16

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-2.73

Polar Surface Area

27.306

Acid Dissociation Constant (pKa)

27.51

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5830-1326 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5830-1326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5830-1326?
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What is the minimum amount of 5830-1326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5830-1326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5830-1326
  • 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 5830-1326 available by request