D015-0285 Screening compound: 1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-hydroxy-2-phenylethan-1-one

D015-0285 Screening compound: 1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-hydroxy-2-phenylethan-1-one
D015-0285 Screening compound: 1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-hydroxy-2-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D015-0285
1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-hydroxy-2-phenylethan-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

D015-0285

Molecular Formula

C18H21F3N2O3 (C18 H21 F3 N2 O3)

Compound Name

1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-hydroxy-2-phenylethan-1-one

IUPAC name

1-[3-cyclohexyl-5-hydroxy-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]-2-hydroxy-2-phenylethan-1-one

SMILES

OC(C(N(C(C1)(C(F)(F)F)O)N=C1C1CCCCC1)=O)c1ccccc1

InChI

InChI=1S/C18H21F3N2O3/c19-18(20,21)17(26)11-14(12-7-3-1-4-8-12)22-23(17)16(25)15(24)13-9-5-2-6-10-13/h2,5-6,9-10,12,15,24,26H,1,3-4,7-8,11H2

InChI Key

YQPVFHLIKHYBFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.160

Distribution Coefficient, logD

3.160

Water Solubility, LogSw

-3.15

Polar Surface Area

59.395

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

D015-0285 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 D015-0285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D015-0285?
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What is the minimum amount of D015-0285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D015-0285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D015-0285
  • 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 D015-0285 available by request