C201-0332 Screening compound: ethyl 4-{2-[5-amino-4-(4-chlorobenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate

C201-0332 Screening compound: ethyl 4-{2-[5-amino-4-(4-chlorobenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate
C201-0332 Screening compound: ethyl 4-{2-[5-amino-4-(4-chlorobenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0332
ethyl 4-{2-[5-amino-4-(4-chlorobenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}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

C201-0332

Molecular Formula

C21H21ClN4O5S2 (C21 H21 ClN4 O5 S2)

Compound Name

ethyl 4-{2-[5-amino-4-(4-chlorobenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[5-amino-4-(4-chlorobenzenesulfonyl)-3-(methylsulfanyl)-1H-pyrazol-1-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(Cn(c(N)c1S(c(cc2)ccc2Cl)(=O)=O)nc1SC)=O)=O

InChI

InChI=1S/C21H21ClN4O5S2/c1-3-31-21(28)13-4-8-15(9-5-13)24-17(27)12-26-19(23)18(20(25-26)32-2)33(29,30)16-10-6-14(22)7-11-16/h4-11H,3,12,23H2,1-2H3,(H,24,27)

InChI Key

GEJGKIADVLWLJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.01

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.687

Distribution Coefficient, logD

3.687

Water Solubility, LogSw

-4.24

Polar Surface Area

106.730

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C201-0332 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C201-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0332?
Check Price and Availability of C201-0332, 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 C201-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0332
  • 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 C201-0332 available by request