5678-0005 Screening compound: 1-[2-(2-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]piperidine

5678-0005 Screening compound: 1-[2-(2-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]piperidine
5678-0005 Screening compound: 1-[2-(2-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5678-0005
1-[2-(2-fluorophenyl)-4-(4-methylbenzenesulfonyl)-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

5678-0005

Molecular Formula

C21H21FN2O3S (C21 H21 FN2 O3 S)

Compound Name

1-[2-(2-fluorophenyl)-4-(4-methylbenzenesulfonyl)-1,3-oxazol-5-yl]piperidine

IUPAC name

1-[2-(2-fluorophenyl)-4-(4-methylbenzenesulfonyl)-13-oxazol-5-yl]piperidine

SMILES

Cc(cc1)ccc1S(c1c(N2CCCCC2)oc(-c(cccc2)c2F)n1)(=O)=O

InChI

InChI=1S/C21H21FN2O3S/c1-15-9-11-16(12-10-15)28(25,26)20-21(24-13-5-2-6-14-24)27-19(23-20)17-7-3-4-8-18(17)22/h3-4,7-12H,2,5-6,13-14H2,1H3

InChI Key

IPDSTPSTHDVIDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04523653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.968

Distribution Coefficient, logD

4.968

Water Solubility, LogSw

-4.63

Polar Surface Area

51.479

Acid Dissociation Constant (pKa)

26.84

Base Dissociation Constant (pKb)

-5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5678-0005 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5678-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5678-0005?
Check Price and Availability of 5678-0005, 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 5678-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5678-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5678-0005
  • 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 5678-0005 available by request