C100-0387 Screening compound: 3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl propanoate

C100-0387 Screening compound: 3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl propanoate
C100-0387 Screening compound: 3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C100-0387
3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl propanoate

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

C100-0387

Molecular Formula

C19H13F5N2O2S (C19 H13 F5 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(Oc(n(-c1ccccc1)nc1C)c1Sc(c(F)c(c(F)c1F)F)c1F)=O

InChI

InChI=1S/C19H13F5N2O2S/c1-3-11(27)28-19-17(9(2)25-26(19)10-7-5-4-6-8-10)29-18-15(23)13(21)12(20)14(22)16(18)24/h4-8H,3H2,1-2H3

InChI Key

RZSGCGIHQDDIBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456737

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.679

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-4.45

Polar Surface Area

33.955

Acid Dissociation Constant (pKa)

22.03

Base Dissociation Constant (pKb)

-2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with C100-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C100-0387?
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What is the minimum amount of C100-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C100-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C100-0387
  • 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 C100-0387 available by request