L834-1045 Screening compound: N-{2-methyl-3-[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide

L834-1045 Screening compound: N-{2-methyl-3-[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide
L834-1045 Screening compound: N-{2-methyl-3-[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L834-1045
N-{2-methyl-3-[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide

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

L834-1045

Molecular Formula

C22H22N4O4 (C22 H22 N4 O4)

Compound Name

N-{2-methyl-3-[3-(3-oxo-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide

IUPAC name

N-{2-methyl-3-[3-(3-oxo-4-propyl-34-dihydro-2H-14-benzoxazin-6-yl)-124-oxadiazol-5-yl]phenyl}acetamide

SMILES

CCCN1c(cc(cc2)-c3noc(-c4c(C)c(NC(C)=O)ccc4)n3)c2OCC1=O

InChI

InChI=1S/C22H22N4O4/c1-4-10-26-18-11-15(8-9-19(18)29-12-20(26)28)21-24-22(30-25-21)16-6-5-7-17(13(16)2)23-14(3)27/h5-9,11H,4,10,12H2,1-3H3,(H,23,27)

InChI Key

ZLDJNIFXPGLIDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-3.44

Polar Surface Area

78.288

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

L834-1045 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L834-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L834-1045?
Check Price and Availability of L834-1045, 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 L834-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L834-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L834-1045
  • 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 L834-1045 available by request