C100-0889 Screening compound: 1-tert-butyl-3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate

C100-0889 Screening compound: 1-tert-butyl-3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
C100-0889 Screening compound: 1-tert-butyl-3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C100-0889
1-tert-butyl-3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate

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

C100-0889

Molecular Formula

C24H23F5N2O5S (C24 H23 F5 N2 O5 S)

Compound Name

1-tert-butyl-3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate

IUPAC name

1-tert-butyl-3-methyl-4-[(23456-pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl 345-trimethoxybenzoate

SMILES

CC(C)(C)n1nc(C)c(Sc(c(F)c(c(F)c2F)F)c2F)c1OC(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C24H23F5N2O5S/c1-10-20(37-21-17(28)15(26)14(25)16(27)18(21)29)22(31(30-10)24(2,3)4)36-23(32)11-8-12(33-5)19(35-7)13(9-11)34-6/h8-9H,1-7H3

InChI Key

WFJKVZBUZGLKDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.672

Distribution Coefficient, logD

4.672

Water Solubility, LogSw

-4.57

Polar Surface Area

58.223

Acid Dissociation Constant (pKa)

30.41

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C100-0889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C100-0889?
Check Price and Availability of C100-0889, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C100-0889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C100-0889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C100-0889
  • 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 C100-0889 available by request