C100-0740 Screening compound: 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 3-methylbutanoate

C100-0740 Screening compound: 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 3-methylbutanoate
C100-0740 Screening compound: 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C100-0740
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 3-methylbutanoate

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

C100-0740

Molecular Formula

C20H28N2O2S (C20 H28 N2 O2 S)

Compound Name

1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 3-methylbutanoate

IUPAC name

1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 3-methylbutanoate

SMILES

CC(C)CC(Oc(n(C(C)(C)C)nc1C)c1Sc1ccc(C)cc1)=O

InChI

InChI=1S/C20H28N2O2S/c1-13(2)12-17(23)24-19-18(15(4)21-22(19)20(5,6)7)25-16-10-8-14(3)9-11-16/h8-11,13H,12H2,1-7H3

InChI Key

FGBDDWFSIXUIJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.144

Distribution Coefficient, logD

5.144

Water Solubility, LogSw

-4.94

Polar Surface Area

34.922

Acid Dissociation Constant (pKa)

22.74

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C100-0740 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C100-0740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C100-0740?
Check Price and Availability of C100-0740, 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 C100-0740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C100-0740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C100-0740
  • 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 C100-0740 available by request