L913-0321 Screening compound: N-[3-(5-{1-[(2E)-3-phenylprop-2-enoyl]piperidin-3-yl}-1,2,4-oxadiazol-3-yl)phenyl]propanamide

L913-0321 Screening compound: N-[3-(5-{1-[(2E)-3-phenylprop-2-enoyl]piperidin-3-yl}-1,2,4-oxadiazol-3-yl)phenyl]propanamide
L913-0321 Screening compound: N-[3-(5-{1-[(2E)-3-phenylprop-2-enoyl]piperidin-3-yl}-1,2,4-oxadiazol-3-yl)phenyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L913-0321
N-[3-(5-{1-[(2E)-3-phenylprop-2-enoyl]piperidin-3-yl}-1,2,4-oxadiazol-3-yl)phenyl]propanamide

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

L913-0321

Molecular Formula

C25H26N4O3 (C25 H26 N4 O3)

Compound Name

N-[3-(5-{1-[(2E)-3-phenylprop-2-enoyl]piperidin-3-yl}-1,2,4-oxadiazol-3-yl)phenyl]propanamide

IUPAC name

N-[3-(5-{1-[(2E)-3-phenylprop-2-enoyl]piperidin-3-yl}-124-oxadiazol-3-yl)phenyl]propanamide

SMILES

CCC(Nc1cccc(-c2noc(C(CCC3)CN3C(/C=C/c3ccccc3)=O)n2)c1)=O

InChI

InChI=1S/C25H26N4O3/c1-2-22(30)26-21-12-6-10-19(16-21)24-27-25(32-28-24)20-11-7-15-29(17-20)23(31)14-13-18-8-4-3-5-9-18/h3-6,8-10,12-14,16,20H,2,7,11,15,17H2,1H3,(H,26,30)/t20-/m0/s1

InChI Key

XNEJZQKORJXGQN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27486216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.848

Distribution Coefficient, logD

4.848

Water Solubility, LogSw

-4.57

Polar Surface Area

70.848

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

L913-0321 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • 3D
  • Fragments
  • Mimetics

References: we are preparing a list of scientific research reports with L913-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L913-0321?
Check Price and Availability of L913-0321, 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 L913-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L913-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L913-0321
  • 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 L913-0321 available by request