SB40-0439 Screening compound: 1-ethyl-5-methyl-N-[11-(methylsulfonyl)-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl]-1H-pyrazole-4-carboxamide

SB40-0439 Screening compound: 1-ethyl-5-methyl-N-[11-(methylsulfonyl)-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl]-1H-pyrazole-4-carboxamide
SB40-0439 Screening compound: 1-ethyl-5-methyl-N-[11-(methylsulfonyl)-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl]-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB40-0439
1-ethyl-5-methyl-N-[11-(methylsulfonyl)-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl]-1H-pyrazole-4-carboxamide

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

SB40-0439

Molecular Formula

C17H27N5O5S (C17 H27 N5 O5 S)

Compound Name

1-ethyl-5-methyl-N-[11-(methylsulfonyl)-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl]-1H-pyrazole-4-carboxamide

IUPAC name

1-ethyl-N-{11-methanesulfonyl-8-oxo-3-oxa-711-diazaspiro[5.6]dodecan-9-yl}-5-methyl-1H-pyrazole-4-carboxamide

SMILES

CCn1ncc(C(NC(CN(CC2(CCOCC2)N2)S(C)(=O)=O)C2=O)=O)c1C

InChI

InChI=1S/C17H27N5O5S/c1-4-22-12(2)13(9-18-22)15(23)19-14-10-21(28(3,25)26)11-17(20-16(14)24)5-7-27-8-6-17/h9,14H,4-8,10-11H2,1-3H3,(H,19,23)(H,20,24)/t14-/m0/s1

InChI Key

VGVYGEMAGUDBJQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32247650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.623

Distribution Coefficient, logD

-0.623

Water Solubility, LogSw

-1.82

Polar Surface Area

103.600

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.59

References: we are preparing a list of scientific research reports with SB40-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB40-0439?
Check Price and Availability of SB40-0439, 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 SB40-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB40-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB40-0439
  • 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 SB40-0439 available by request