5896-0370 Screening compound: 1-[4-(benzenesulfonyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-yl]piperidine

5896-0370 Screening compound: 1-[4-(benzenesulfonyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-yl]piperidine
5896-0370 Screening compound: 1-[4-(benzenesulfonyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5896-0370
1-[4-(benzenesulfonyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-yl]piperidine

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

5896-0370

Molecular Formula

C21H22N2O4S (C21 H22 N2 O4 S)

Compound Name

1-[4-(benzenesulfonyl)-2-(3-methoxyphenyl)-1,3-oxazol-5-yl]piperidine

IUPAC name

1-[4-(benzenesulfonyl)-2-(3-methoxyphenyl)-13-oxazol-5-yl]piperidine

SMILES

COc1cccc(-c2nc(S(c3ccccc3)(=O)=O)c(N3CCCCC3)o2)c1

InChI

InChI=1S/C21H22N2O4S/c1-26-17-10-8-9-16(15-17)19-22-20(21(27-19)23-13-6-3-7-14-23)28(24,25)18-11-4-2-5-12-18/h2,4-5,8-12,15H,3,6-7,13-14H2,1H3

InChI Key

BWMFXVRNWMVHPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04209474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.38

Polar Surface Area

59.023

Acid Dissociation Constant (pKa)

26.84

Base Dissociation Constant (pKb)

-5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5896-0370 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5896-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5896-0370?
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What is the minimum amount of 5896-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5896-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5896-0370
  • 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 5896-0370 available by request