3852-0616 Screening compound: 1-(4-tert-butylbenzoyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

3852-0616 Screening compound: 1-(4-tert-butylbenzoyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
3852-0616 Screening compound: 1-(4-tert-butylbenzoyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3852-0616
1-(4-tert-butylbenzoyl)-3-(3-methoxyphenyl)-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

3852-0616

Molecular Formula

C22H23F3N2O3 (C22 H23 F3 N2 O3)

Compound Name

1-(4-tert-butylbenzoyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-(4-tert-butylbenzoyl)-3-(3-methoxyphenyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(C)(C)c(cc1)ccc1C(N(C(C1)(C(F)(F)F)O)N=C1c1cc(OC)ccc1)=O

InChI

InChI=1S/C22H23F3N2O3/c1-20(2,3)16-10-8-14(9-11-16)19(28)27-21(29,22(23,24)25)13-18(26-27)15-6-5-7-17(12-15)30-4/h5-12,29H,13H2,1-4H3/t21-/m0/s1

InChI Key

JNAAZCDDNDVFAB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02215183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.43

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

5.281

Distribution Coefficient, logD

5.281

Water Solubility, LogSw

-5.18

Polar Surface Area

51.062

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 3852-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3852-0616?
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What is the minimum amount of 3852-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3852-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3852-0616
  • 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 3852-0616 available by request