4607-1250 Screening compound: 1-(3-bromobenzoyl)-3-butyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

4607-1250 Screening compound: 1-(3-bromobenzoyl)-3-butyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
4607-1250 Screening compound: 1-(3-bromobenzoyl)-3-butyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-1250
1-(3-bromobenzoyl)-3-butyl-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

4607-1250

Molecular Formula

C15H16BrF3N2O2 (C15 H16 BrF3 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(CC1(C(F)(F)F)O)=NN1C(c1cccc(Br)c1)=O

InChI

InChI=1S/C15H16BrF3N2O2/c1-2-3-7-12-9-14(23,15(17,18)19)21(20-12)13(22)10-5-4-6-11(16)8-10/h4-6,8,23H,2-3,7,9H2,1H3/t14-/m0/s1

InChI Key

XPYXFVNJNIVCRY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD02276642

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.188

Distribution Coefficient, logD

4.188

Water Solubility, LogSw

-4.19

Polar Surface Area

43.693

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

References: we are preparing a list of scientific research reports with 4607-1250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-1250?
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What is the minimum amount of 4607-1250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-1250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-1250
  • 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 4607-1250 available by request