8006-6690 Screening compound: 1-[5-hydroxy-5-(3-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

8006-6690 Screening compound: 1-[5-hydroxy-5-(3-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
8006-6690 Screening compound: 1-[5-hydroxy-5-(3-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6690
1-[5-hydroxy-5-(3-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]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

8006-6690

Molecular Formula

C13H13F3N2O3 (C13 H13 F3 N2 O3)

Compound Name

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

IUPAC name

1-[5-hydroxy-5-(3-methoxyphenyl)-3-(trifluoromethyl)-45-dihydro-1H-pyrazol-1-yl]ethan-1-one

SMILES

CC(N(C(C1)(c2cc(OC)ccc2)O)N=C1C(F)(F)F)=O

InChI

InChI=1S/C13H13F3N2O3/c1-8(19)18-12(20,7-11(17-18)13(14,15)16)9-4-3-5-10(6-9)21-2/h3-6,20H,7H2,1-2H3/t12-/m0/s1

InChI Key

MKEDFDTTWNUOPC-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD00782072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.937

Distribution Coefficient, logD

1.937

Water Solubility, LogSw

-2.10

Polar Surface Area

51.801

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

8006-6690 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-6690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6690?
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What is the minimum amount of 8006-6690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6690
  • 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 8006-6690 available by request