SB40-0652 Screening compound: N~1~-(11-isobutyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl)-4-methoxy-1-benzenesulfonamide

SB40-0652 Screening compound: N~1~-(11-isobutyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl)-4-methoxy-1-benzenesulfonamide
SB40-0652 Screening compound: N~1~-(11-isobutyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl)-4-methoxy-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB40-0652
N~1~-(11-isobutyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl)-4-methoxy-1-benzenesulfonamide

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

SB40-0652

Molecular Formula

C20H31N3O5S (C20 H31 N3 O5 S)

Compound Name

N~1~-(11-isobutyl-8-oxo-3-oxa-7,11-diazaspiro[5.6]dodec-9-yl)-4-methoxy-1-benzenesulfonamide

IUPAC name

4-methoxy-N-[11-(2-methylpropyl)-8-oxo-3-oxa-711-diazaspiro[5.6]dodecan-9-yl]benzene-1-sulfonamide

SMILES

CC(C)CN(CC1NS(c(cc2)ccc2OC)(=O)=O)CC2(CCOCC2)NC1=O

InChI

InChI=1S/C20H31N3O5S/c1-15(2)12-23-13-18(19(24)21-20(14-23)8-10-28-11-9-20)22-29(25,26)17-6-4-16(27-3)5-7-17/h4-7,15,18,22H,8-14H2,1-3H3,(H,21,24)/t18-/m0/s1

InChI Key

WBOHLOVXWZAIFB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32247534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.023

Distribution Coefficient, logD

1.928

Water Solubility, LogSw

-2.78

Polar Surface Area

87.306

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

SB40-0652 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 SB40-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB40-0652?
Check Price and Availability of SB40-0652, 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 SB40-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB40-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB40-0652
  • 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 SB40-0652 available by request