SB40-0608 Screening compound: N-(11-isobutyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl)-3,5-dimethyl-4-isoxazolesulfonamide

SB40-0608 Screening compound: N-(11-isobutyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl)-3,5-dimethyl-4-isoxazolesulfonamide
SB40-0608 Screening compound: N-(11-isobutyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl)-3,5-dimethyl-4-isoxazolesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB40-0608
N-(11-isobutyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl)-3,5-dimethyl-4-isoxazolesulfonamide

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

SB40-0608

Molecular Formula

C18H30N4O5S (C18 H30 N4 O5 S)

Compound Name

N-(11-isobutyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl)-3,5-dimethyl-4-isoxazolesulfonamide

IUPAC name

35-dimethyl-N-[11-(2-methylpropyl)-8-oxo-3-oxa-711-diazaspiro[5.6]dodecan-9-yl]-12-oxazole-4-sulfonamide

SMILES

CC(C)CN(CC1NS(c2c(C)onc2C)(=O)=O)CC2(CCOCC2)NC1=O

InChI

InChI=1S/C18H30N4O5S/c1-12(2)9-22-10-15(17(23)19-18(11-22)5-7-26-8-6-18)21-28(24,25)16-13(3)20-27-14(16)4/h12,15,21H,5-11H2,1-4H3,(H,19,23)/t15-/m0/s1

InChI Key

CNHSQXKXRRKWMS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32247730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.628

Distribution Coefficient, logD

0.525

Water Solubility, LogSw

-2.16

Polar Surface Area

101.800

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

77.78

SB40-0608 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CORONAVIRUS Library (20774 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with SB40-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB40-0608?
Check Price and Availability of SB40-0608, 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 SB40-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB40-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB40-0608
  • 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 SB40-0608 available by request