4823-2825 Screening compound: ethyl 2-[(4E)-4-[(furan-2-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

4823-2825 Screening compound: ethyl 2-[(4E)-4-[(furan-2-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
4823-2825 Screening compound: ethyl 2-[(4E)-4-[(furan-2-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4823-2825
ethyl 2-[(4E)-4-[(furan-2-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

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

4823-2825

Molecular Formula

C16H15N3O4S (C16 H15 N3 O4 S)

Compound Name

ethyl 2-[(4E)-4-[(furan-2-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-[(4E)-4-[(furan-2-yl)methylidene]-3-methyl-5-oxo-45-dihydro-1H-pyrazol-1-yl]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(N(C2=O)N=C(C)/C2=C\c2ccco2)s1)=O

InChI

InChI=1S/C16H15N3O4S/c1-4-22-15(21)13-10(3)17-16(24-13)19-14(20)12(9(2)18-19)8-11-6-5-7-23-11/h5-8H,4H2,1-3H3

InChI Key

SJJIRKNTBSRUTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.970

Distribution Coefficient, logD

2.970

Water Solubility, LogSw

-3.09

Polar Surface Area

64.487

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4823-2825 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4823-2825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4823-2825?
Check Price and Availability of 4823-2825, 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 4823-2825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4823-2825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4823-2825
  • 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 4823-2825 available by request