C100-0767 Screening compound: 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl benzoate

C100-0767 Screening compound: 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl benzoate
C100-0767 Screening compound: 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C100-0767
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl benzoate

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

C100-0767

Molecular Formula

C22H24N2O2S (C22 H24 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)n1nc(C)c(Sc2ccc(C)cc2)c1OC(c1ccccc1)=O

InChI

InChI=1S/C22H24N2O2S/c1-15-11-13-18(14-12-15)27-19-16(2)23-24(22(3,4)5)20(19)26-21(25)17-9-7-6-8-10-17/h6-14H,1-5H3

InChI Key

FLKZJRVVCWJNHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

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

5.209

Distribution Coefficient, logD

5.209

Water Solubility, LogSw

-5.22

Polar Surface Area

35.245

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C100-0767 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antifungal Library (16415 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with C100-0767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C100-0767?
Check Price and Availability of C100-0767, 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 C100-0767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C100-0767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C100-0767
  • 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 C100-0767 available by request