5298-0225 Screening compound: 3-(2-chlorophenyl)-5-methyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2-oxazole-4-carboxamide

5298-0225 Screening compound: 3-(2-chlorophenyl)-5-methyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2-oxazole-4-carboxamide
5298-0225 Screening compound: 3-(2-chlorophenyl)-5-methyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5298-0225
3-(2-chlorophenyl)-5-methyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2-oxazole-4-carboxamide

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

5298-0225

Molecular Formula

C21H20ClN3O4S (C21 H20 ClN3 O4 S)

Compound Name

3-(2-chlorophenyl)-5-methyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2-oxazole-4-carboxamide

IUPAC name

3-(2-chlorophenyl)-5-methyl-N-[4-(pyrrolidine-1-sulfonyl)phenyl]-12-oxazole-4-carboxamide

SMILES

Cc1c(C(Nc(cc2)ccc2S(N2CCCC2)(=O)=O)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C21H20ClN3O4S/c1-14-19(20(24-29-14)17-6-2-3-7-18(17)22)21(26)23-15-8-10-16(11-9-15)30(27,28)25-12-4-5-13-25/h2-3,6-11H,4-5,12-13H2,1H3,(H,23,26)

InChI Key

HJBLEDLUPAYGTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03351734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.619

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-4.29

Polar Surface Area

77.367

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

5298-0225 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 5298-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5298-0225?
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What is the minimum amount of 5298-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5298-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5298-0225
  • 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 5298-0225 available by request