5859-0222 Screening compound: methyl 5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate

5859-0222 Screening compound: methyl 5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
5859-0222 Screening compound: methyl 5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5859-0222
methyl 5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate

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

5859-0222

Molecular Formula

C11H17F3N2O3 (C11 H17 F3 N2 O3)

Compound Name

methyl 5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate

IUPAC name

methyl 5-hydroxy-3-(3-methylbutyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazole-1-carboxylate

SMILES

CC(C)CCC(CC1(C(F)(F)F)O)=NN1C(OC)=O

InChI

InChI=1S/C11H17F3N2O3/c1-7(2)4-5-8-6-10(18,11(12,13)14)16(15-8)9(17)19-3/h7,18H,4-6H2,1-3H3/t10-/m0/s1

InChI Key

LYHASIIUCDMAQY-JTQLQIEISA-N

MDL Number (MFCD)

MFCD05025275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.552

Distribution Coefficient, logD

2.552

Water Solubility, LogSw

-2.02

Polar Surface Area

50.437

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

81.80

References: we are preparing a list of scientific research reports with 5859-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5859-0222?
Check Price and Availability of 5859-0222, 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 5859-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5859-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5859-0222
  • 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 5859-0222 available by request