C159-0002 Screening compound: 4-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(3-nitrophenyl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

C159-0002 Screening compound: 4-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(3-nitrophenyl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
C159-0002 Screening compound: 4-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(3-nitrophenyl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C159-0002
4-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(3-nitrophenyl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

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

C159-0002

Molecular Formula

C27H21N3O6 (C27 H21 N3 O6)

Compound Name

4-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(3-nitrophenyl)methyl]-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

IUPAC name

4-[(4-hydroxy-2-oxo-2H-chromen-3-yl)(3-nitrophenyl)methyl]-15-dimethyl-2-phenyl-23-dihydro-1H-pyrazol-3-one

SMILES

CC(N(C)N1c2ccccc2)=C(C(c2cccc([N+]([O-])=O)c2)C(C(Oc2c3cccc2)=O)=C3O)C1=O

InChI

InChI=1S/C27H21N3O6/c1-16-22(26(32)29(28(16)2)18-10-4-3-5-11-18)23(17-9-8-12-19(15-17)30(34)35)24-25(31)20-13-6-7-14-21(20)36-27(24)33/h3-15,23,31H,1-2H3/t23-/m1/s1

InChI Key

PEOVJICOPOEQEQ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03829186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.002

Distribution Coefficient, logD

0.147

Water Solubility, LogSw

-3.57

Polar Surface Area

89.252

Acid Dissociation Constant (pKa)

4.54

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

C159-0002 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C159-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C159-0002?
Check Price and Availability of C159-0002, 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 C159-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C159-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C159-0002
  • 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 C159-0002 available by request