Y202-9454 Screening compound: 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenoxy)-1-propanone

Y202-9454 Screening compound: 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenoxy)-1-propanone
Y202-9454 Screening compound: 1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenoxy)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y202-9454
1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenoxy)-1-propanone

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

Y202-9454

Molecular Formula

C14H14F3N3O5 (C14 H14 F3 N3 O5)

Compound Name

1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenoxy)-1-propanone

IUPAC name

1-[5-hydroxy-3-methyl-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]-2-(4-nitrophenoxy)propan-1-one

SMILES

CC(C(N1N=C(C)CC1(C(F)(F)F)O)=O)Oc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C14H14F3N3O5/c1-8-7-13(22,14(15,16)17)19(18-8)12(21)9(2)25-11-5-3-10(4-6-11)20(23)24/h3-6,9,22H,7H2,1-2H3

InChI Key

ZXCFRGUOAKYJAF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.219

Distribution Coefficient, logD

2.219

Water Solubility, LogSw

-2.40

Polar Surface Area

83.133

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with Y202-9454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y202-9454?
Check Price and Availability of Y202-9454, 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 Y202-9454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y202-9454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y202-9454
  • 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 Y202-9454 available by request