4607-1238 Screening compound: 3-butyl-1-(3-methoxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

4607-1238 Screening compound: 3-butyl-1-(3-methoxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
4607-1238 Screening compound: 3-butyl-1-(3-methoxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-1238
3-butyl-1-(3-methoxybenzoyl)-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

4607-1238

Molecular Formula

C16H19F3N2O3 (C16 H19 F3 N2 O3)

Compound Name

3-butyl-1-(3-methoxybenzoyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

3-butyl-1-(3-methoxybenzoyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CCCCC(CC1(C(F)(F)F)O)=NN1C(c1cc(OC)ccc1)=O

InChI

InChI=1S/C16H19F3N2O3/c1-3-4-7-12-10-15(23,16(17,18)19)21(20-12)14(22)11-6-5-8-13(9-11)24-2/h5-6,8-9,23H,3-4,7,10H2,1-2H3/t15-/m0/s1

InChI Key

CDEJFRJDZLSKPL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01832491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.402

Distribution Coefficient, logD

3.402

Water Solubility, LogSw

-3.63

Polar Surface Area

51.237

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 4607-1238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-1238?
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What is the minimum amount of 4607-1238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-1238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-1238
  • 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 4607-1238 available by request