4909-0222 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

4909-0222 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
4909-0222 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-5-(4-ethylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4909-0222
4-[3-(3,4-dimethoxyphenyl)-5-(4-ethylphenyl)-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

4909-0222

Molecular Formula

C23H26N2O5 (C23 H26 N2 O5)

Compound Name

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

IUPAC name

4-[3-(34-dimethoxyphenyl)-5-(4-ethylphenyl)-45-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

SMILES

CCc1ccc(C(C2)N(C(CCC(O)=O)=O)N=C2c(cc2)cc(OC)c2OC)cc1

InChI

InChI=1S/C23H26N2O5/c1-4-15-5-7-16(8-6-15)19-14-18(24-25(19)22(26)11-12-23(27)28)17-9-10-20(29-2)21(13-17)30-3/h5-10,13,19H,4,11-12,14H2,1-3H3,(H,27,28)/t19-/m0/s1

InChI Key

ICZCTDDCGJMPKU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03302716

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

3.510

Distribution Coefficient, logD

0.560

Water Solubility, LogSw

-3.67

Polar Surface Area

70.503

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

4909-0222 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • 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 4909-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4909-0222?
Check Price and Availability of 4909-0222, 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 4909-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4909-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4909-0222
  • 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 4909-0222 available by request