4367-0133 Screening compound: 1-(3-BROMO-4-METHOXYBENZOYL)-3,5-DIMETHYL-1H-PYRAZOLE

4367-0133 Screening compound: 1-(3-BROMO-4-METHOXYBENZOYL)-3,5-DIMETHYL-1H-PYRAZOLE
4367-0133 Screening compound: 1-(3-BROMO-4-METHOXYBENZOYL)-3,5-DIMETHYL-1H-PYRAZOLE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4367-0133
1-(3-BROMO-4-METHOXYBENZOYL)-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

4367-0133

Molecular Formula

C13H13BrN2O2 (C13 H13 BrN2 O2)

Compound Name

1-(3-BROMO-4-METHOXYBENZOYL)-3,5-DIMETHYL-1H-PYRAZOLE

IUPAC name

n/a

SMILES

Cc1cc(C)nn1C(c(cc1)cc(Br)c1OC)=O

InChI

InChI=1S/C13H13BrN2O2/c1-8-6-9(2)16(15-8)13(17)10-4-5-12(18-3)11(14)7-10/h4-7H,1-3H3

InChI Key

LEBYTPACTAJMOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02604291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.16

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.152

Distribution Coefficient, logD

2.152

Water Solubility, LogSw

-2.53

Polar Surface Area

34.936

Acid Dissociation Constant (pKa)

27.51

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

4367-0133 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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

References: we are preparing a list of scientific research reports with 4367-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4367-0133?
Check Price and Availability of 4367-0133, 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 4367-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4367-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4367-0133
  • 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 4367-0133 available by request