5438-0022 Screening compound: 1-(3,4-dimethoxybenzoyl)-3-(propan-2-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

5438-0022 Screening compound: 1-(3,4-dimethoxybenzoyl)-3-(propan-2-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
5438-0022 Screening compound: 1-(3,4-dimethoxybenzoyl)-3-(propan-2-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5438-0022
1-(3,4-dimethoxybenzoyl)-3-(propan-2-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

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

5438-0022

Molecular Formula

C16H19F3N2O4 (C16 H19 F3 N2 O4)

Compound Name

1-(3,4-dimethoxybenzoyl)-3-(propan-2-yl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-(34-dimethoxybenzoyl)-3-(propan-2-yl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(C)C(CC1(C(F)(F)F)O)=NN1C(c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C16H19F3N2O4/c1-9(2)11-8-15(23,16(17,18)19)21(20-11)14(22)10-5-6-12(24-3)13(7-10)25-4/h5-7,9,23H,8H2,1-4H3/t15-/m0/s1

InChI Key

VKIIYFKATFQOSA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08098436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.587

Distribution Coefficient, logD

2.587

Water Solubility, LogSw

-2.80

Polar Surface Area

59.050

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 5438-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5438-0022?
Check Price and Availability of 5438-0022, 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 5438-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5438-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5438-0022
  • 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 5438-0022 available by request