D072-0830 Screening compound: 1-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide

D072-0830 Screening compound: 1-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
D072-0830 Screening compound: 1-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D072-0830
1-[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]piperidine-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

D072-0830

Molecular Formula

C21H20FN3O4S (C21 H20 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

NC(C(CC1)CCN1c(oc(-c(cc1)ccc1F)n1)c1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C21H20FN3O4S/c22-16-8-6-15(7-9-16)19-24-20(30(27,28)17-4-2-1-3-5-17)21(29-19)25-12-10-14(11-13-25)18(23)26/h1-9,14H,10-13H2,(H2,23,26)

InChI Key

GHMIMBVOCHPNLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04544355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.854

Distribution Coefficient, logD

2.854

Water Solubility, LogSw

-3.28

Polar Surface Area

85.538

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D072-0830 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Dark Chemical Matter Library (18430 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 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
  • Pool
  • Mimetics
Therapeutical areas:
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with D072-0830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D072-0830?
Check Price and Availability of D072-0830, 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 D072-0830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D072-0830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D072-0830
  • 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 D072-0830 available by request