3332-5363 Screening compound: 4-[3-(2,6-dimethyl-4-phenylquinolin-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

3332-5363 Screening compound: 4-[3-(2,6-dimethyl-4-phenylquinolin-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
3332-5363 Screening compound: 4-[3-(2,6-dimethyl-4-phenylquinolin-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3332-5363
4-[3-(2,6-dimethyl-4-phenylquinolin-3-yl)-5-(4-methoxyphenyl)-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

3332-5363

Molecular Formula

C31H29N3O4 (C31 H29 N3 O4)

Compound Name

4-[3-(2,6-dimethyl-4-phenylquinolin-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

IUPAC name

4-[3-(26-dimethyl-4-phenylquinolin-3-yl)-5-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

SMILES

Cc1ccc2nc(C)c(C(CC3c(cc4)ccc4OC)=NN3C(CCC(O)=O)=O)c(-c3ccccc3)c2c1

InChI

InChI=1S/C31H29N3O4/c1-19-9-14-25-24(17-19)31(22-7-5-4-6-8-22)30(20(2)32-25)26-18-27(21-10-12-23(38-3)13-11-21)34(33-26)28(35)15-16-29(36)37/h4-14,17,27H,15-16,18H2,1-3H3,(H,36,37)/t27-/m0/s1

InChI Key

ANXIJTVNMUKCKY-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02943826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.670

Distribution Coefficient, logD

2.720

Water Solubility, LogSw

-5.52

Polar Surface Area

71.422

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.60

3332-5363 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • 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 3332-5363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3332-5363?
Check Price and Availability of 3332-5363, 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 3332-5363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3332-5363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3332-5363
  • 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 3332-5363 available by request