3336-0975 Screening compound: 5-[5-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

3336-0975 Screening compound: 5-[5-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
3336-0975 Screening compound: 5-[5-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3336-0975
5-[5-(2,5-dimethoxyphenyl)-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

3336-0975

Molecular Formula

C23H26N2O5 (C23 H26 N2 O5)

Compound Name

5-[5-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

IUPAC name

5-[5-(25-dimethoxyphenyl)-3-(4-methylphenyl)-45-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

SMILES

Cc(cc1)ccc1C(CC1c(cc(cc2)OC)c2OC)=NN1C(CCCC(O)=O)=O

InChI

InChI=1S/C23H26N2O5/c1-15-7-9-16(10-8-15)19-14-20(18-13-17(29-2)11-12-21(18)30-3)25(24-19)22(26)5-4-6-23(27)28/h7-13,20H,4-6,14H2,1-3H3,(H,27,28)/t20-/m0/s1

InChI Key

QWOGXVWZEPZNIX-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD04417134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.748

Distribution Coefficient, logD

1.151

Water Solubility, LogSw

-3.98

Polar Surface Area

70.417

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

3336-0975 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 3336-0975 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3336-0975?
Check Price and Availability of 3336-0975, 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 3336-0975 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3336-0975
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3336-0975
  • 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 3336-0975 available by request