3355-0057 Screening compound: 4-[3-(4-methoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

3355-0057 Screening compound: 4-[3-(4-methoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
3355-0057 Screening compound: 4-[3-(4-methoxyphenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3355-0057
4-[3-(4-methoxyphenyl)-5-(thiophen-2-yl)-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

3355-0057

Molecular Formula

C18H18N2O4S (C18 H18 N2 O4 S)

Compound Name

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

IUPAC name

4-[3-(4-methoxyphenyl)-5-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid

SMILES

COc(cc1)ccc1C(CC1c2cccs2)=NN1C(CCC(O)=O)=O

InChI

InChI=1S/C18H18N2O4S/c1-24-13-6-4-12(5-7-13)14-11-15(16-3-2-10-25-16)20(19-14)17(21)8-9-18(22)23/h2-7,10,15H,8-9,11H2,1H3,(H,22,23)/t15-/m0/s1

InChI Key

DOKOPSYVKJJXKJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD02217070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

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

2.610

Distribution Coefficient, logD

-0.339

Water Solubility, LogSw

-2.82

Polar Surface Area

63.805

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

3355-0057 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3355-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3355-0057?
Check Price and Availability of 3355-0057, 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 3355-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3355-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3355-0057
  • 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 3355-0057 available by request