G728-0070 Screening compound: 8-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazole-5-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane

G728-0070 Screening compound: 8-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazole-5-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane
G728-0070 Screening compound: 8-{3-[(benzenesulfonyl)methyl]-1,2,4-oxadiazole-5-carbonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound G728-0070
8-{3-[(benzenesulfonyl)methyl]-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

G728-0070

Molecular Formula

C17H19N3O6S (C17 H19 N3 O6 S)

Compound Name

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

IUPAC name

8-{3-[(benzenesulfonyl)methyl]-124-oxadiazole-5-carbonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(c1nc(CS(c2ccccc2)(=O)=O)no1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C17H19N3O6S/c21-16(20-8-6-17(7-9-20)24-10-11-25-17)15-18-14(19-26-15)12-27(22,23)13-4-2-1-3-5-13/h1-5H,6-12H2

InChI Key

BFFDTXXJFVLKMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15030115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.400

Distribution Coefficient, logD

0.400

Water Solubility, LogSw

-2.03

Polar Surface Area

93.028

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

G728-0070 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 G728-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G728-0070?
Check Price and Availability of G728-0070, 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 G728-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G728-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G728-0070
  • 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 G728-0070 available by request