6049-0264 Screening compound: 1-[3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one

6049-0264 Screening compound: 1-[3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one
6049-0264 Screening compound: 1-[3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6049-0264
1-[3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-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

6049-0264

Molecular Formula

C15H14F3N3O4 (C15 H14 F3 N3 O4)

Compound Name

1-[3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one

IUPAC name

1-[3-cyclopropyl-5-hydroxy-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenyl)ethan-1-one

SMILES

[O-][N+](c1ccc(CC(N(C(C2)(C(F)(F)F)O)N=C2C2CC2)=O)cc1)=O

InChI

InChI=1S/C15H14F3N3O4/c16-15(17,18)14(23)8-12(10-3-4-10)19-20(14)13(22)7-9-1-5-11(6-2-9)21(24)25/h1-2,5-6,10,23H,3-4,7-8H2/t14-/m0/s1

InChI Key

HEYGJZZOLIXJPR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03466149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.782

Distribution Coefficient, logD

2.782

Water Solubility, LogSw

-3.05

Polar Surface Area

76.895

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

3.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

6049-0264 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6049-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6049-0264?
Check Price and Availability of 6049-0264, 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 6049-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6049-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6049-0264
  • 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 6049-0264 available by request