C755-0268 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one

C755-0268 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one
C755-0268 Screening compound: 1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C755-0268
1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one

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

C755-0268

Molecular Formula

C13H16N2O5S2 (C13 H16 N2 O5 S2)

Compound Name

1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one

IUPAC name

1-{14-dioxa-8-azaspiro[4.5]decan-8-yl}-2-[(2-nitrothiophen-3-yl)sulfanyl]ethan-1-one

SMILES

[O-][N+](c(scc1)c1SCC(N(CC1)CCC11OCCO1)=O)=O

InChI

InChI=1S/C13H16N2O5S2/c16-11(9-22-10-1-8-21-12(10)15(17)18)14-4-2-13(3-5-14)19-6-7-20-13/h1,8H,2-7,9H2

InChI Key

WABWUKMYAKYWLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14791639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.163

Distribution Coefficient, logD

1.163

Water Solubility, LogSw

-2.10

Polar Surface Area

65.247

Acid Dissociation Constant (pKa)

25.57

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

C755-0268 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 C755-0268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C755-0268?
Check Price and Availability of C755-0268, 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 C755-0268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C755-0268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C755-0268
  • 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 C755-0268 available by request