SB39-0478 Screening compound: 2-(1-acetyl-4-piperidyl)-N-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]acetamide

SB39-0478 Screening compound: 2-(1-acetyl-4-piperidyl)-N-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]acetamide
SB39-0478 Screening compound: 2-(1-acetyl-4-piperidyl)-N-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB39-0478
2-(1-acetyl-4-piperidyl)-N-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]acetamide

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

SB39-0478

Molecular Formula

C20H34N4O5S (C20 H34 N4 O5 S)

Compound Name

2-(1-acetyl-4-piperidyl)-N-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]acetamide

IUPAC name

2-(1-acetylpiperidin-4-yl)-N-[10-(ethanesulfonyl)-7-oxo-610-diazaspiro[4.6]undecan-8-yl]acetamide

SMILES

CCS(N(CC1NC(CC(CC2)CCN2C(C)=O)=O)CC2(CCCC2)NC1=O)(=O)=O

InChI

InChI=1S/C20H34N4O5S/c1-3-30(28,29)24-13-17(19(27)22-20(14-24)8-4-5-9-20)21-18(26)12-16-6-10-23(11-7-16)15(2)25/h16-17H,3-14H2,1-2H3,(H,21,26)(H,22,27)/t17-/m0/s1

InChI Key

DECPBMIPUMVOPV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32247692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.234

Distribution Coefficient, logD

0.234

Water Solubility, LogSw

-1.97

Polar Surface Area

99.708

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

85.00

SB39-0478 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB39-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB39-0478?
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What is the minimum amount of SB39-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB39-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB39-0478
  • 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 SB39-0478 available by request