SB40-0416 Screening compound: 3-fluoro-N-[11-(methylsulfonyl)-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl]isonicotinamide

SB40-0416 Screening compound: 3-fluoro-N-[11-(methylsulfonyl)-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl]isonicotinamide
SB40-0416 Screening compound: 3-fluoro-N-[11-(methylsulfonyl)-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl]isonicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB40-0416
3-fluoro-N-[11-(methylsulfonyl)-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl]isonicotinamide

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

SB40-0416

Molecular Formula

C16H21FN4O5S (C16 H21 FN4 O5 S)

Compound Name

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

IUPAC name

3-fluoro-N-{11-methanesulfonyl-8-oxo-3-oxa-711-diazaspiro[5.6]dodecan-9-yl}pyridine-4-carboxamide

SMILES

CS(N(CC1NC(c(ccnc2)c2F)=O)CC2(CCOCC2)NC1=O)(=O)=O

InChI

InChI=1S/C16H21FN4O5S/c1-27(24,25)21-9-13(19-14(22)11-2-5-18-8-12(11)17)15(23)20-16(10-21)3-6-26-7-4-16/h2,5,8,13H,3-4,6-7,9-10H2,1H3,(H,19,22)(H,20,23)/t13-/m0/s1

InChI Key

YQHXWMISLDXAEM-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32247635

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.550

Distribution Coefficient, logD

-0.551

Water Solubility, LogSw

-1.98

Polar Surface Area

99.192

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.25

SB40-0416 in Drug Discovery

Included in Screening Libraries

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

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 SB40-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB40-0416?
Check Price and Availability of SB40-0416, 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 SB40-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB40-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB40-0416
  • 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 SB40-0416 available by request