8007-5578 Screening compound: butyl 3-acetyl-1-phenyl-4,5-dihydro-1H-pyrazole-4-carboxylate

8007-5578 Screening compound: butyl 3-acetyl-1-phenyl-4,5-dihydro-1H-pyrazole-4-carboxylate
8007-5578 Screening compound: butyl 3-acetyl-1-phenyl-4,5-dihydro-1H-pyrazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-5578
butyl 3-acetyl-1-phenyl-4,5-dihydro-1H-pyrazole-4-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

8007-5578

Molecular Formula

C16H20N2O3 (C16 H20 N2 O3)

Compound Name

butyl 3-acetyl-1-phenyl-4,5-dihydro-1H-pyrazole-4-carboxylate

IUPAC name

butyl 3-acetyl-1-phenyl-45-dihydro-1H-pyrazole-4-carboxylate

SMILES

CCCCOC(C(C1)C(C(C)=O)=NN1c1ccccc1)=O

InChI

InChI=1S/C16H20N2O3/c1-3-4-10-21-16(20)14-11-18(17-15(14)12(2)19)13-8-6-5-7-9-13/h5-9,14H,3-4,10-11H2,1-2H3/t14-/m1/s1

InChI Key

BIHZAKKFPZCORO-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00762128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.060

Distribution Coefficient, logD

3.060

Water Solubility, LogSw

-3.06

Polar Surface Area

49.479

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

8007-5578 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8007-5578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-5578?
Check Price and Availability of 8007-5578, 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 8007-5578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-5578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-5578
  • 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 8007-5578 available by request