C050-0274 Screening compound: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

C050-0274 Screening compound: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
C050-0274 Screening compound: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C050-0274
5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

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

C050-0274

Molecular Formula

C21H17ClN4O5S (C21 H17 ClN4 O5 S)

Compound Name

5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate

IUPAC name

5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 3-(2-chlorophenyl)-5-methyl-12-oxazole-4-carboxylate

SMILES

Cc1c(C(Oc(cc2N)nn2S(c2ccc(C)cc2)(=O)=O)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C21H17ClN4O5S/c1-12-7-9-14(10-8-12)32(28,29)26-17(23)11-18(24-26)30-21(27)19-13(2)31-25-20(19)15-5-3-4-6-16(15)22/h3-11H,23H2,1-2H3

InChI Key

VTMHKOZJTOLXKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.500

Distribution Coefficient, logD

3.500

Water Solubility, LogSw

-4.21

Polar Surface Area

102.705

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

C050-0274 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GABA Library (7115 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Eye
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C050-0274 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C050-0274?
Check Price and Availability of C050-0274, 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 C050-0274 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C050-0274
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C050-0274
  • 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 C050-0274 available by request