D323-0323 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-methylphenoxy)ethan-1-one

D323-0323 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-methylphenoxy)ethan-1-one
D323-0323 Screening compound: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-methylphenoxy)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D323-0323
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-methylphenoxy)ethan-1-one

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

D323-0323

Molecular Formula

C21H22N2O3 (C21 H22 N2 O3)

Compound Name

1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-methylphenoxy)ethan-1-one

IUPAC name

1-[4-(13-benzoxazol-2-yl)piperidin-1-yl]-2-(2-methylphenoxy)ethan-1-one

SMILES

Cc(cccc1)c1OCC(N(CC1)CCC1c1nc(cccc2)c2o1)=O

InChI

InChI=1S/C21H22N2O3/c1-15-6-2-4-8-18(15)25-14-20(24)23-12-10-16(11-13-23)21-22-17-7-3-5-9-19(17)26-21/h2-9,16H,10-14H2,1H3

InChI Key

WINZTVDMLCPEOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.949

Distribution Coefficient, logD

3.949

Water Solubility, LogSw

-4.01

Polar Surface Area

40.755

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D323-0323 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with D323-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D323-0323?
Check Price and Availability of D323-0323, 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 D323-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D323-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D323-0323
  • 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 D323-0323 available by request