SB39-0896 Screening compound: N-[7-oxo-10-(2-thienylmethyl)-6,10-diazaspiro[4.6]undec-8-yl]methanesulfonamide

SB39-0896 Screening compound: N-[7-oxo-10-(2-thienylmethyl)-6,10-diazaspiro[4.6]undec-8-yl]methanesulfonamide
SB39-0896 Screening compound: N-[7-oxo-10-(2-thienylmethyl)-6,10-diazaspiro[4.6]undec-8-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB39-0896
N-[7-oxo-10-(2-thienylmethyl)-6,10-diazaspiro[4.6]undec-8-yl]methanesulfonamide

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

SB39-0896

Molecular Formula

C15H23N3O3S2 (C15 H23 N3 O3 S2)

Compound Name

N-[7-oxo-10-(2-thienylmethyl)-6,10-diazaspiro[4.6]undec-8-yl]methanesulfonamide

IUPAC name

N-{7-oxo-10-[(thiophen-2-yl)methyl]-610-diazaspiro[4.6]undecan-8-yl}methanesulfonamide

SMILES

CS(NC(CN(Cc1cccs1)CC1(CCCC1)N1)C1=O)(=O)=O

InChI

InChI=1S/C15H23N3O3S2/c1-23(20,21)17-13-10-18(9-12-5-4-8-22-12)11-15(16-14(13)19)6-2-3-7-15/h4-5,8,13,17H,2-3,6-7,9-11H2,1H3,(H,16,19)/t13-/m0/s1

InChI Key

FLSZCTCWYURSPU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32247551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.754

Distribution Coefficient, logD

0.753

Water Solubility, LogSw

-2.33

Polar Surface Area

74.184

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SB39-0896 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SB39-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB39-0896?
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What is the minimum amount of SB39-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB39-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB39-0896
  • 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 SB39-0896 available by request