3740-0316 Screening compound: 4-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

3740-0316 Screening compound: 4-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
3740-0316 Screening compound: 4-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3740-0316
4-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-4,5-dihydro-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

3740-0316

Molecular Formula

C21H22N2O4 (C21 H22 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(CC1c(cc2)ccc2OC)=NN1C(CCC(O)=O)=O

InChI

InChI=1S/C21H22N2O4/c1-14-3-5-15(6-4-14)18-13-19(16-7-9-17(27-2)10-8-16)23(22-18)20(24)11-12-21(25)26/h3-10,19H,11-13H2,1-2H3,(H,25,26)/t19-/m0/s1

InChI Key

JNKCPBZILBGYEK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02215737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.386

Distribution Coefficient, logD

0.437

Water Solubility, LogSw

-3.37

Polar Surface Area

62.786

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

3740-0316 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 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

References: we are preparing a list of scientific research reports with 3740-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3740-0316?
Check Price and Availability of 3740-0316, 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 3740-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3740-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3740-0316
  • 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 3740-0316 available by request