4052-4417 Screening compound: 5-[3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid

4052-4417 Screening compound: 5-[3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid
4052-4417 Screening compound: 5-[3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-5-oxopentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-4417
5-[3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-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

4052-4417

Molecular Formula

C23H26N2O6 (C23 H26 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(C2)N(C(CCCC(O)=O)=O)N=C2c(cc2)cc(OC)c2OC)cc1

InChI

InChI=1S/C23H26N2O6/c1-29-17-10-7-15(8-11-17)19-14-18(16-9-12-20(30-2)21(13-16)31-3)24-25(19)22(26)5-4-6-23(27)28/h7-13,19H,4-6,14H2,1-3H3,(H,27,28)/t19-/m0/s1

InChI Key

JLUFCFSGZOZCCC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02735669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.715

Distribution Coefficient, logD

0.117

Water Solubility, LogSw

-2.98

Polar Surface Area

78.047

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

4052-4417 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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

References: we are preparing a list of scientific research reports with 4052-4417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-4417?
Check Price and Availability of 4052-4417, 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 4052-4417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-4417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-4417
  • 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 4052-4417 available by request