8020-5353 Screening compound: 6-(1-ethynyl)-4-morpholino-2,1,3-benzoxadiazole

8020-5353 Screening compound: 6-(1-ethynyl)-4-morpholino-2,1,3-benzoxadiazole
8020-5353 Screening compound: 6-(1-ethynyl)-4-morpholino-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5353
6-(1-ethynyl)-4-morpholino-2,1,3-benzoxadiazole

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

8020-5353

Molecular Formula

C12H11N3O2 (C12 H11 N3 O2)

Compound Name

6-(1-ethynyl)-4-morpholino-2,1,3-benzoxadiazole

IUPAC name

6-ethynyl-4-(morpholin-4-yl)-213-benzoxadiazole

SMILES

C#Cc1cc2nonc2c(N2CCOCC2)c1

InChI

InChI=1S/C12H11N3O2/c1-2-9-7-10-12(14-17-13-10)11(8-9)15-3-5-16-6-4-15/h1,7-8H,3-6H2

InChI Key

SWVZCRNKUNBPLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25976098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.223

Distribution Coefficient, logD

2.223

Water Solubility, LogSw

-2.24

Polar Surface Area

47.388

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8020-5353 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-5353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5353?
Check Price and Availability of 8020-5353, 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 8020-5353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5353
  • 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 8020-5353 available by request