6228-1249 Screening compound: methyl 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate

6228-1249 Screening compound: methyl 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate
6228-1249 Screening compound: methyl 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-1249
methyl 4-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoate

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

6228-1249

Molecular Formula

C14H15BrN2O2 (C14 H15 BrN2 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C14H15BrN2O2/c1-9-13(15)10(2)17(16-9)8-11-4-6-12(7-5-11)14(18)19-3/h4-7H,8H2,1-3H3

InChI Key

BTBSJYIFXDSDRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01852916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.19

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.914

Distribution Coefficient, logD

2.914

Water Solubility, LogSw

-2.99

Polar Surface Area

35.694

Acid Dissociation Constant (pKa)

28.56

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

6228-1249 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6228-1249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-1249?
Check Price and Availability of 6228-1249, 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 6228-1249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-1249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-1249
  • 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 6228-1249 available by request