3336-0967 Screening compound: 5-[5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

3336-0967 Screening compound: 5-[5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
3336-0967 Screening compound: 5-[5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3336-0967
5-[5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic 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

3336-0967

Molecular Formula

C21H21BrN2O3 (C21 H21 BrN2 O3)

Compound Name

5-[5-(4-bromophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

IUPAC name

5-[5-(4-bromophenyl)-3-(4-methylphenyl)-45-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

SMILES

Cc(cc1)ccc1C(CC1c(cc2)ccc2Br)=NN1C(CCCC(O)=O)=O

InChI

InChI=1S/C21H21BrN2O3/c1-14-5-7-15(8-6-14)18-13-19(16-9-11-17(22)12-10-16)24(23-18)20(25)3-2-4-21(26)27/h5-12,19H,2-4,13H2,1H3,(H,26,27)/t19-/m0/s1

InChI Key

WAEJPRMGOIJFBQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02994798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.391

Distribution Coefficient, logD

1.794

Water Solubility, LogSw

-4.27

Polar Surface Area

55.243

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

3336-0967 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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

References: we are preparing a list of scientific research reports with 3336-0967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3336-0967?
Check Price and Availability of 3336-0967, 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 3336-0967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3336-0967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3336-0967
  • 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 3336-0967 available by request