C100-0125 Screening compound: 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-phenoxyacetate

C100-0125 Screening compound: 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-phenoxyacetate
C100-0125 Screening compound: 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-phenoxyacetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C100-0125
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-phenoxyacetate

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

C100-0125

Molecular Formula

C24H19N3O5S (C24 H19 N3 O5 S)

Compound Name

3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-phenoxyacetate

IUPAC name

3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 2-phenoxyacetate

SMILES

Cc(c(Sc(cccc1)c1[N+]([O-])=O)c1OC(COc2ccccc2)=O)nn1-c1ccccc1

InChI

InChI=1S/C24H19N3O5S/c1-17-23(33-21-15-9-8-14-20(21)27(29)30)24(26(25-17)18-10-4-2-5-11-18)32-22(28)16-31-19-12-6-3-7-13-19/h2-15H,16H2,1H3

InChI Key

RXHUXSMRANSSNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04456703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.669

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-4.53

Polar Surface Area

74.263

Acid Dissociation Constant (pKa)

23.16

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C100-0125 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C100-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C100-0125?
Check Price and Availability of C100-0125, 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 C100-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C100-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C100-0125
  • 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 C100-0125 available by request