8018-9117 Screening compound: (5-chloro-2-hydroxyphenyl)[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanone

8018-9117 Screening compound: (5-chloro-2-hydroxyphenyl)[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanone
8018-9117 Screening compound: (5-chloro-2-hydroxyphenyl)[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9117
(5-chloro-2-hydroxyphenyl)[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanone

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

8018-9117

Molecular Formula

C12H9ClF2N2O2 (C12 H9 ClF2 N2 O2)

Compound Name

(5-chloro-2-hydroxyphenyl)[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanone

IUPAC name

4-chloro-2-[3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl]phenol

SMILES

Cn1nc(C(F)F)c(C(c(cc(cc2)Cl)c2O)=O)c1

InChI

InChI=1S/C12H9ClF2N2O2/c1-17-5-8(10(16-17)12(14)15)11(19)7-4-6(13)2-3-9(7)18/h2-5,12,18H,1H3

InChI Key

HDPYAUVZIDXKDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08743617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.223

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.38

Polar Surface Area

45.609

Acid Dissociation Constant (pKa)

10.57

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8018-9117 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-9117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9117?
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What is the minimum amount of 8018-9117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9117
  • 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 8018-9117 available by request