4607-1341 Screening compound: 1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylbutan-1-one

4607-1341 Screening compound: 1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylbutan-1-one
4607-1341 Screening compound: 1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4607-1341
1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylbutan-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

4607-1341

Molecular Formula

C20H25F3N2O2 (C20 H25 F3 N2 O2)

Compound Name

1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-phenylbutan-1-one

IUPAC name

1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]-4-phenylbutan-1-one

SMILES

OC(C1)(C(F)(F)F)N(C(CCCc2ccccc2)=O)N=C1C1CCCCC1

InChI

InChI=1S/C20H25F3N2O2/c21-20(22,23)19(27)14-17(16-11-5-2-6-12-16)24-25(19)18(26)13-7-10-15-8-3-1-4-9-15/h1,3-4,8-9,16,27H,2,5-7,10-14H2/t19-/m0/s1

InChI Key

RDPSJNQLKMOYGU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02647419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.067

Distribution Coefficient, logD

5.067

Water Solubility, LogSw

-4.68

Polar Surface Area

43.183

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

4607-1341 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4607-1341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4607-1341?
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What is the minimum amount of 4607-1341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4607-1341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4607-1341
  • 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 4607-1341 available by request