4607-1303 Screening compound: 1-cyclopropanecarbonyl-3-(2-methylpropyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

4607-1303 Screening compound: 1-cyclopropanecarbonyl-3-(2-methylpropyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
4607-1303 Screening compound: 1-cyclopropanecarbonyl-3-(2-methylpropyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-1303
1-cyclopropanecarbonyl-3-(2-methylpropyl)-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

4607-1303

Molecular Formula

C12H17F3N2O2 (C12 H17 F3 N2 O2)

Compound Name

1-cyclopropanecarbonyl-3-(2-methylpropyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-cyclopropanecarbonyl-3-(2-methylpropyl)-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

CC(C)CC(CC1(C(F)(F)F)O)=NN1C(C1CC1)=O

InChI

InChI=1S/C12H17F3N2O2/c1-7(2)5-9-6-11(19,12(13,14)15)17(16-9)10(18)8-3-4-8/h7-8,19H,3-6H2,1-2H3/t11-/m0/s1

InChI Key

CZGJQDOAAZVUAQ-NSHDSACASA-N

MDL Number (MFCD)

MFCD02738028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.490

Distribution Coefficient, logD

2.490

Water Solubility, LogSw

-2.08

Polar Surface Area

44.216

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

83.30

4607-1303 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4607-1303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-1303?
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What is the minimum amount of 4607-1303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-1303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-1303
  • 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 4607-1303 available by request