C100-0295 Screening compound: 3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl acetate

C100-0295 Screening compound: 3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl acetate
C100-0295 Screening compound: 3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C100-0295
3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-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

C100-0295

Molecular Formula

C19H18N2O2S (C19 H18 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H18N2O2S/c1-13-9-11-17(12-10-13)24-18-14(2)20-21(19(18)23-15(3)22)16-7-5-4-6-8-16/h4-12H,1-3H3

InChI Key

WOSLHJJUMRTDMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

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

4.227

Distribution Coefficient, logD

4.227

Water Solubility, LogSw

-4.33

Polar Surface Area

34.652

Acid Dissociation Constant (pKa)

22.55

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C100-0295 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C100-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C100-0295?
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What is the minimum amount of C100-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C100-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C100-0295
  • 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 C100-0295 available by request