7201-0009 Screening compound: 4-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanoic acid

7201-0009 Screening compound: 4-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanoic acid
7201-0009 Screening compound: 4-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 7201-0009
4-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanoic 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

7201-0009

Molecular Formula

C15H15BrN2O3 (C15 H15 BrN2 O3)

Compound Name

4-(4-bromophenyl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-oxobutanoic acid

IUPAC name

4-(4-bromophenyl)-2-(35-dimethyl-1H-pyrazol-1-yl)-4-oxobutanoic acid

SMILES

Cc1cc(C)nn1C(CC(c(cc1)ccc1Br)=O)C(O)=O

InChI

InChI=1S/C15H15BrN2O3/c1-9-7-10(2)18(17-9)13(15(20)21)8-14(19)11-3-5-12(16)6-4-11/h3-7,13H,8H2,1-2H3,(H,20,21)/t13-/m0/s1

InChI Key

VZEQSJUMCHJWES-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14712313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.802

Distribution Coefficient, logD

-1.935

Water Solubility, LogSw

-2.05

Polar Surface Area

55.302

Acid Dissociation Constant (pKa)

3.66

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

7201-0009 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 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
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7201-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7201-0009?
Check Price and Availability of 7201-0009, 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 7201-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7201-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7201-0009
  • 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 7201-0009 available by request