C100-0379 Screening compound: 3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxyacetate

C100-0379 Screening compound: 3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxyacetate
C100-0379 Screening compound: 3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxyacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C100-0379
3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxyacetate

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

C100-0379

Molecular Formula

C19H13F5N2O3S (C19 H13 F5 N2 O3 S)

Compound Name

3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxyacetate

IUPAC name

3-methyl-4-[(23456-pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-methoxyacetate

SMILES

Cc(c(Sc(c(F)c(c(F)c1F)F)c1F)c1OC(COC)=O)nn1-c1ccccc1

InChI

InChI=1S/C19H13F5N2O3S/c1-9-17(30-18-15(23)13(21)12(20)14(22)16(18)24)19(29-11(27)8-28-2)26(25-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3

InChI Key

QLTVXBKRRUTEJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.834

Distribution Coefficient, logD

3.834

Water Solubility, LogSw

-4.09

Polar Surface Area

42.379

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with C100-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C100-0379?
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What is the minimum amount of C100-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C100-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C100-0379
  • 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 C100-0379 available by request