Y202-7668 Screening compound: [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone

Y202-7668 Screening compound: [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone
Y202-7668 Screening compound: [5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y202-7668
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone

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

Y202-7668

Molecular Formula

C13H12F3N3O4 (C13 H12 F3 N3 O4)

Compound Name

[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methyl-4-nitrophenyl)methanone

IUPAC name

3-methyl-1-(3-methyl-4-nitrobenzoyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(CC1(C(F)(F)F)O)=NN1C(c(cc1)cc(C)c1[N+]([O-])=O)=O

InChI

InChI=1S/C13H12F3N3O4/c1-7-5-9(3-4-10(7)19(22)23)11(20)18-12(21,13(14,15)16)6-8(2)17-18/h3-5,21H,6H2,1-2H3/t12-/m0/s1

InChI Key

KKOHKQKYICYIJT-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.443

Distribution Coefficient, logD

2.443

Water Solubility, LogSw

-2.42

Polar Surface Area

76.043

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

References: we are preparing a list of scientific research reports with Y202-7668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y202-7668?
Check Price and Availability of Y202-7668, 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 Y202-7668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y202-7668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y202-7668
  • 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 Y202-7668 available by request