L834-1176 Screening compound: 6-{5-[(1E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

L834-1176 Screening compound: 6-{5-[(1E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
L834-1176 Screening compound: 6-{5-[(1E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L834-1176
6-{5-[(1E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-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

L834-1176

Molecular Formula

C21H19N3O3 (C21 H19 N3 O3)

Compound Name

6-{5-[(1E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-{5-[(1E)-2-phenylethenyl]-124-oxadiazol-3-yl}-4-propyl-34-dihydro-2H-14-benzoxazin-3-one

SMILES

CCCN1c(cc(cc2)-c3noc(/C=C/c4ccccc4)n3)c2OCC1=O

InChI

InChI=1S/C21H19N3O3/c1-2-12-24-17-13-16(9-10-18(17)26-14-20(24)25)21-22-19(27-23-21)11-8-15-6-4-3-5-7-15/h3-11,13H,2,12,14H2,1H3

InChI Key

RKLLGLYOLAGSGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.675

Distribution Coefficient, logD

4.675

Water Solubility, LogSw

-4.46

Polar Surface Area

55.390

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L834-1176 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L834-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L834-1176?
Check Price and Availability of L834-1176, 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 L834-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L834-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L834-1176
  • 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 L834-1176 available by request