6237-0189 Screening compound: 5-[difluoro(trifluoromethoxy)methyl]-1-(4-methoxybenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol

6237-0189 Screening compound: 5-[difluoro(trifluoromethoxy)methyl]-1-(4-methoxybenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol
6237-0189 Screening compound: 5-[difluoro(trifluoromethoxy)methyl]-1-(4-methoxybenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6237-0189
5-[difluoro(trifluoromethoxy)methyl]-1-(4-methoxybenzoyl)-3-methyl-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

6237-0189

Molecular Formula

C14H13F5N2O4 (C14 H13 F5 N2 O4)

Compound Name

5-[difluoro(trifluoromethoxy)methyl]-1-(4-methoxybenzoyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

5-[difluoro(trifluoromethoxy)methyl]-1-(4-methoxybenzoyl)-3-methyl-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(CC1(C(OC(F)(F)F)(F)F)O)=NN1C(c(cc1)ccc1OC)=O

InChI

InChI=1S/C14H13F5N2O4/c1-8-7-12(23,13(15,16)25-14(17,18)19)21(20-8)11(22)9-3-5-10(24-2)6-4-9/h3-6,23H,7H2,1-2H3/t12-/m0/s1

InChI Key

VOKYXAXQKIKJFH-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD04020522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.26

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

3.275

Distribution Coefficient, logD

3.275

Water Solubility, LogSw

-3.29

Polar Surface Area

55.446

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 6237-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6237-0189?
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What is the minimum amount of 6237-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6237-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6237-0189
  • 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 6237-0189 available by request