C100-0820 Screening compound: 1-tert-butyl-3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl cyclopentanecarboxylate

C100-0820 Screening compound: 1-tert-butyl-3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl cyclopentanecarboxylate
C100-0820 Screening compound: 1-tert-butyl-3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl cyclopentanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C100-0820
1-tert-butyl-3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl cyclopentanecarboxylate

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

C100-0820

Molecular Formula

C20H21F5N2O2S (C20 H21 F5 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)n1nc(C)c(Sc(c(F)c(c(F)c2F)F)c2F)c1OC(C1CCCC1)=O

InChI

InChI=1S/C20H21F5N2O2S/c1-9-16(30-17-14(24)12(22)11(21)13(23)15(17)25)18(27(26-9)20(2,3)4)29-19(28)10-7-5-6-8-10/h10H,5-8H2,1-4H3

InChI Key

JTBPLKLXXWHKNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.46

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

5.291

Distribution Coefficient, logD

5.291

Water Solubility, LogSw

-5.07

Polar Surface Area

35.804

Acid Dissociation Constant (pKa)

20.81

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C100-0820 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C100-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C100-0820?
Check Price and Availability of C100-0820, 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 C100-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C100-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C100-0820
  • 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 C100-0820 available by request