L830-0147 Screening compound: 8-{3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

L830-0147 Screening compound: 8-{3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
L830-0147 Screening compound: 8-{3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound L830-0147
8-{3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl}-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

L830-0147

Molecular Formula

C20H20N4O4S (C20 H20 N4 O4 S)

Compound Name

8-{3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole-5-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{3-[3-(2-methyl-13-thiazol-4-yl)phenyl]-124-oxadiazole-5-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

Cc1nc(-c2cc(-c3noc(C(N(CC4)CCC44OCCO4)=O)n3)ccc2)cs1

InChI

InChI=1S/C20H20N4O4S/c1-13-21-16(12-29-13)14-3-2-4-15(11-14)17-22-18(28-23-17)19(25)24-7-5-20(6-8-24)26-9-10-27-20/h2-4,11-12H,5-10H2,1H3

InChI Key

HHCGCTRAKSADRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.061

Distribution Coefficient, logD

3.061

Water Solubility, LogSw

-3.21

Polar Surface Area

72.541

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

L830-0147 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with L830-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L830-0147?
Check Price and Availability of L830-0147, 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 L830-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L830-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L830-0147
  • 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 L830-0147 available by request