SB40-0414 Screening compound: N-[11-(methylsulfonyl)-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl]-1-cyclohexanecarboxamide

SB40-0414 Screening compound: N-[11-(methylsulfonyl)-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl]-1-cyclohexanecarboxamide
SB40-0414 Screening compound: N-[11-(methylsulfonyl)-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl]-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB40-0414
N-[11-(methylsulfonyl)-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl]-1-cyclohexanecarboxamide

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

SB40-0414

Molecular Formula

C17H29N3O5S (C17 H29 N3 O5 S)

Compound Name

N-[11-(methylsulfonyl)-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl]-1-cyclohexanecarboxamide

IUPAC name

N-{11-methanesulfonyl-8-oxo-3-oxa-711-diazaspiro[5.6]dodecan-9-yl}cyclohexanecarboxamide

SMILES

CS(N(CC1NC(C2CCCCC2)=O)CC2(CCOCC2)NC1=O)(=O)=O

InChI

InChI=1S/C17H29N3O5S/c1-26(23,24)20-11-14(18-15(21)13-5-3-2-4-6-13)16(22)19-17(12-20)7-9-25-10-8-17/h13-14H,2-12H2,1H3,(H,18,21)(H,19,22)/t14-/m0/s1

InChI Key

WUYYBTOGKSSILP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32247626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.177

Distribution Coefficient, logD

0.177

Water Solubility, LogSw

-1.90

Polar Surface Area

89.867

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

88.24

SB40-0414 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB40-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB40-0414?
Check Price and Availability of SB40-0414, 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 SB40-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB40-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB40-0414
  • 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 SB40-0414 available by request