L827-1326 Screening compound: 8-{5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,4-dioxa-8-azaspiro[4.5]decane

L827-1326 Screening compound: 8-{5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,4-dioxa-8-azaspiro[4.5]decane
L827-1326 Screening compound: 8-{5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound L827-1326
8-{5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,4-dioxa-8-azaspiro[4.5]decane

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

L827-1326

Molecular Formula

C21H22N4O3 (C21 H22 N4 O3)

Compound Name

8-{5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{5-[3-(3-methylphenyl)-124-oxadiazol-5-yl]pyridin-2-yl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

Cc1cccc(-c2noc(-c(cc3)cnc3N(CC3)CCC33OCCO3)n2)c1

InChI

InChI=1S/C21H22N4O3/c1-15-3-2-4-16(13-15)19-23-20(28-24-19)17-5-6-18(22-14-17)25-9-7-21(8-10-25)26-11-12-27-21/h2-6,13-14H,7-12H2,1H3

InChI Key

ILDJWVRDVNCYRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.254

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.20

Polar Surface Area

58.134

Acid Dissociation Constant (pKa)

24.78

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

L827-1326 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L827-1326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L827-1326?
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What is the minimum amount of L827-1326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L827-1326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L827-1326
  • 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 L827-1326 available by request