4225-0130 Screening compound: 2-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione

4225-0130 Screening compound: 2-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione
4225-0130 Screening compound: 2-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4225-0130
2-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione

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

4225-0130

Molecular Formula

C16H14BrN3O3 (C16 H14 BrN3 O3)

Compound Name

2-[1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-oxopropan-2-yl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[1-(4-bromo-35-dimethyl-1H-pyrazol-1-yl)-1-oxopropan-2-yl]-23-dihydro-1H-isoindole-13-dione

SMILES

CC(C(n1nc(C)c(Br)c1C)=O)N(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C16H14BrN3O3/c1-8-13(17)9(2)20(18-8)14(21)10(3)19-15(22)11-6-4-5-7-12(11)16(19)23/h4-7,10H,1-3H3/t10-/m0/s1

InChI Key

ZPKBAFZZJJOWFU-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01143389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.044

Distribution Coefficient, logD

2.044

Water Solubility, LogSw

-2.54

Polar Surface Area

56.718

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-5.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

4225-0130 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4225-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4225-0130?
Check Price and Availability of 4225-0130, 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 4225-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4225-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4225-0130
  • 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 4225-0130 available by request