SB39-0437 Screening compound: N~3~-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]-5-methyl-3-isoxazolecarboxamide

SB39-0437 Screening compound: N~3~-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]-5-methyl-3-isoxazolecarboxamide
SB39-0437 Screening compound: N~3~-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]-5-methyl-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB39-0437
N~3~-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]-5-methyl-3-isoxazolecarboxamide

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

SB39-0437

Molecular Formula

C16H24N4O5S (C16 H24 N4 O5 S)

Compound Name

N~3~-[10-(ethylsulfonyl)-7-oxo-6,10-diazaspiro[4.6]undec-8-yl]-5-methyl-3-isoxazolecarboxamide

IUPAC name

N-[10-(ethanesulfonyl)-7-oxo-610-diazaspiro[4.6]undecan-8-yl]-5-methyl-12-oxazole-3-carboxamide

SMILES

CCS(N(CC1NC(c2noc(C)c2)=O)CC2(CCCC2)NC1=O)(=O)=O

InChI

InChI=1S/C16H24N4O5S/c1-3-26(23,24)20-9-13(17-14(21)12-8-11(2)25-19-12)15(22)18-16(10-20)6-4-5-7-16/h8,13H,3-7,9-10H2,1-2H3,(H,17,21)(H,18,22)/t13-/m0/s1

InChI Key

TZGBYRLSOMUXSX-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32247663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.413

Distribution Coefficient, logD

0.413

Water Solubility, LogSw

-2.23

Polar Surface Area

103.762

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

SB39-0437 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 SB39-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB39-0437?
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What is the minimum amount of SB39-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB39-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB39-0437
  • 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 SB39-0437 available by request