D203-0003 Screening compound: 1-(4-methoxybenzoyl)-4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidine

D203-0003 Screening compound: 1-(4-methoxybenzoyl)-4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidine
D203-0003 Screening compound: 1-(4-methoxybenzoyl)-4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D203-0003
1-(4-methoxybenzoyl)-4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-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

D203-0003

Molecular Formula

C25H28N4O5S (C25 H28 N4 O5 S)

Compound Name

1-(4-methoxybenzoyl)-4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidine

IUPAC name

1-(4-methoxybenzoyl)-4-{3-[4-(pyrrolidine-1-sulfonyl)phenyl]-124-oxadiazol-5-yl}piperidine

SMILES

COc(cc1)ccc1C(N(CC1)CCC1c1nc(-c(cc2)ccc2S(N2CCCC2)(=O)=O)no1)=O

InChI

InChI=1S/C25H28N4O5S/c1-33-21-8-4-20(5-9-21)25(30)28-16-12-19(13-17-28)24-26-23(27-34-24)18-6-10-22(11-7-18)35(31,32)29-14-2-3-15-29/h4-11,19H,2-3,12-17H2,1H3

InChI Key

VPPTUBOWLXGKSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14813744

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.872

Distribution Coefficient, logD

3.872

Water Solubility, LogSw

-3.88

Polar Surface Area

87.913

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D203-0003 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 D203-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D203-0003?
Check Price and Availability of D203-0003, 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 D203-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D203-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D203-0003
  • 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 D203-0003 available by request