G805-0395 Screening compound: 7-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

G805-0395 Screening compound: 7-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
G805-0395 Screening compound: 7-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G805-0395
7-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-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

G805-0395

Molecular Formula

C16H20N2O6S (C16 H20 N2 O6 S)

Compound Name

7-{1,4-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

7-{14-dioxa-8-azaspiro[4.5]decane-8-sulfonyl}-6-methyl-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cc(cc(c(OC1)c2)NC1=O)c2S(N(CC1)CCC11OCCO1)(=O)=O

InChI

InChI=1S/C16H20N2O6S/c1-11-8-12-13(22-10-15(19)17-12)9-14(11)25(20,21)18-4-2-16(3-5-18)23-6-7-24-16/h8-9H,2-7,10H2,1H3,(H,17,19)

InChI Key

OZPXCFYJTOPONL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15037905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.730

Distribution Coefficient, logD

0.729

Water Solubility, LogSw

-2.28

Polar Surface Area

79.656

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

G805-0395 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 G805-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G805-0395?
Check Price and Availability of G805-0395, 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 G805-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G805-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G805-0395
  • 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 G805-0395 available by request