L834-1100 Screening compound: 6-{5-[(1H-indol-3-yl)methyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

L834-1100 Screening compound: 6-{5-[(1H-indol-3-yl)methyl]-1,2,4-oxadiazol-3-yl}-4-propyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
L834-1100 Screening compound: 6-{5-[(1H-indol-3-yl)methyl]-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 L834-1100
6-{5-[(1H-indol-3-yl)methyl]-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

L834-1100

Molecular Formula

C22H20N4O3 (C22 H20 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCN1c(cc(cc2)-c3noc(Cc4c[nH]c5c4cccc5)n3)c2OCC1=O

InChI

InChI=1S/C22H20N4O3/c1-2-9-26-18-10-14(7-8-19(18)28-13-21(26)27)22-24-20(29-25-22)11-15-12-23-17-6-4-3-5-16(15)17/h3-8,10,12,23H,2,9,11,13H2,1H3

InChI Key

IOYUAHIQUXWKSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.121

Distribution Coefficient, logD

4.121

Water Solubility, LogSw

-4.20

Polar Surface Area

65.260

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L834-1100 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Peptidomimetic Library (37031 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with L834-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L834-1100?
Check Price and Availability of L834-1100, 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 L834-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L834-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L834-1100
  • 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 L834-1100 available by request