C100-0299 Screening compound: 3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate

C100-0299 Screening compound: 3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
C100-0299 Screening compound: 3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C100-0299
3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate

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

C100-0299

Molecular Formula

C22H24N2O2S (C22 H24 N2 O2 S)

Compound Name

3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate

IUPAC name

3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 22-dimethylpropanoate

SMILES

CC(C)(C)C(Oc(n(-c1ccccc1)nc1C)c1Sc1ccc(C)cc1)=O

InChI

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

InChI Key

XQRXWYLNAXGOQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456727

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

5.746

Distribution Coefficient, logD

5.746

Water Solubility, LogSw

-5.59

Polar Surface Area

34.550

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C100-0299 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C100-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C100-0299?
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What is the minimum amount of C100-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C100-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C100-0299
  • 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 C100-0299 available by request