L834-1136 Screening compound: 6-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

L834-1136 Screening compound: 6-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
L834-1136 Screening compound: 6-{5-[2-(1H-indol-3-yl)ethyl]-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 L834-1136
6-{5-[2-(1H-indol-3-yl)ethyl]-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

L834-1136

Molecular Formula

C23H22N4O3 (C23 H22 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCN1c(cc(cc2)-c3noc(CCc4c[nH]c5c4cccc5)n3)c2OCC1=O

InChI

InChI=1S/C23H22N4O3/c1-2-11-27-19-12-15(7-9-20(19)29-14-22(27)28)23-25-21(30-26-23)10-8-16-13-24-18-6-4-3-5-17(16)18/h3-7,9,12-13,24H,2,8,10-11,14H2,1H3

InChI Key

AQDMUNSQKYWCRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.554

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-4.25

Polar Surface Area

65.260

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

L834-1136 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Indole Derivatives (10091 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L834-1136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L834-1136?
Check Price and Availability of L834-1136, 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 L834-1136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L834-1136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L834-1136
  • 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 L834-1136 available by request