C100-0841 Screening compound: 1-tert-butyl-3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl acetate

C100-0841 Screening compound: 1-tert-butyl-3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl acetate
C100-0841 Screening compound: 1-tert-butyl-3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C100-0841
1-tert-butyl-3-methyl-4-[(2,3,4,5,6-pentafluorophenyl)sulfanyl]-1H-pyrazol-5-yl acetate

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

C100-0841

Molecular Formula

C16H15F5N2O2S (C16 H15 F5 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H15F5N2O2S/c1-6-13(15(25-7(2)24)23(22-6)16(3,4)5)26-14-11(20)9(18)8(17)10(19)12(14)21/h1-5H3

InChI Key

IZNACVNBMWBXIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456869

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.723

Distribution Coefficient, logD

3.723

Water Solubility, LogSw

-4.02

Polar Surface Area

35.619

Acid Dissociation Constant (pKa)

22.55

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C100-0841 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 C100-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C100-0841?
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What is the minimum amount of C100-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C100-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C100-0841
  • 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 C100-0841 available by request