L827-0861 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

L827-0861 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
L827-0861 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound L827-0861
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

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

L827-0861

Molecular Formula

C22H18N4O4 (C22 H18 N4 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-5-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]pyridin-2-amine

SMILES

COc(cc1)ccc1-c1noc(-c(cc2)cnc2NCc(cc2)cc3c2OCO3)n1

InChI

InChI=1S/C22H18N4O4/c1-27-17-6-3-15(4-7-17)21-25-22(30-26-21)16-5-9-20(24-12-16)23-11-14-2-8-18-19(10-14)29-13-28-18/h2-10,12H,11,13H2,1H3,(H,23,24)

InChI Key

AIDCPUVRJMUTQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.699

Distribution Coefficient, logD

4.664

Water Solubility, LogSw

-4.35

Polar Surface Area

76.243

Acid Dissociation Constant (pKa)

20.00

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L827-0861 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

C-Met Library (15277 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L827-0861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L827-0861?
Check Price and Availability of L827-0861, 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 L827-0861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L827-0861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L827-0861
  • 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 L827-0861 available by request