L834-1086 Screening compound: 4-[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

L834-1086 Screening compound: 4-[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
L834-1086 Screening compound: 4-[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L834-1086
4-[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

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

L834-1086

Molecular Formula

C20H16N4O3 (C20 H16 N4 O3)

Compound Name

4-[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

IUPAC name

4-[3-(3-oxo-4-propyl-34-dihydro-2H-14-benzoxazin-6-yl)-124-oxadiazol-5-yl]benzonitrile

SMILES

CCCN1c(cc(cc2)-c3noc(-c(cc4)ccc4C#N)n3)c2OCC1=O

InChI

InChI=1S/C20H16N4O3/c1-2-9-24-16-10-15(7-8-17(16)26-12-18(24)25)19-22-20(27-23-19)14-5-3-13(11-21)4-6-14/h3-8,10H,2,9,12H2,1H3

InChI Key

RFHCIDCECIBBCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.585

Distribution Coefficient, logD

3.585

Water Solubility, LogSw

-3.77

Polar Surface Area

72.780

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L834-1086 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L834-1086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L834-1086?
Check Price and Availability of L834-1086, 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 L834-1086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L834-1086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L834-1086
  • 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 L834-1086 available by request