4607-1694 Screening compound: 1-[3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethan-1-one

4607-1694 Screening compound: 1-[3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethan-1-one
4607-1694 Screening compound: 1-[3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-1694
1-[3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethan-1-one

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

4607-1694

Molecular Formula

C22H22BrF3N2O3 (C22 H22 BrF3 N2 O3)

Compound Name

1-[3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethan-1-one

IUPAC name

1-[3-(3-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]-2-[5-methyl-2-(propan-2-yl)phenoxy]ethan-1-one

SMILES

CC(C)c(ccc(C)c1)c1OCC(N(C(C1)(C(F)(F)F)O)N=C1c1cccc(Br)c1)=O

InChI

InChI=1S/C22H22BrF3N2O3/c1-13(2)17-8-7-14(3)9-19(17)31-12-20(29)28-21(30,22(24,25)26)11-18(27-28)15-5-4-6-16(23)10-15/h4-10,13,30H,11-12H2,1-3H3/t21-/m0/s1

InChI Key

VJQALXWPUBGGGR-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02912380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.33

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

5.730

Distribution Coefficient, logD

5.730

Water Solubility, LogSw

-5.29

Polar Surface Area

50.576

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 4607-1694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-1694?
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What is the minimum amount of 4607-1694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-1694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-1694
  • 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 4607-1694 available by request