SB57-1449 Screening compound: 3,5-dimethyl-4-isoxazolyl [6-(ethylsulfonyl)-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl] sulfone

SB57-1449 Screening compound: 3,5-dimethyl-4-isoxazolyl [6-(ethylsulfonyl)-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl] sulfone
SB57-1449 Screening compound: 3,5-dimethyl-4-isoxazolyl [6-(ethylsulfonyl)-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB57-1449
3,5-dimethyl-4-isoxazolyl [6-(ethylsulfonyl)-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl] sulfone

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

SB57-1449

Molecular Formula

C16H23N5O6S2 (C16 H23 N5 O6 S2)

Compound Name

3,5-dimethyl-4-isoxazolyl [6-(ethylsulfonyl)-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl] sulfone

IUPAC name

2-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-6-(ethanesulfonyl)-8-(3-methyl-124-oxadiazol-5-yl)-26-diazaspiro[3.4]octane

SMILES

CCS(N(C1)CC(C2)(CN2S(c2c(C)onc2C)(=O)=O)C1c1nc(C)no1)(=O)=O

InChI

InChI=1S/C16H23N5O6S2/c1-5-28(22,23)20-6-13(15-17-12(4)19-27-15)16(7-20)8-21(9-16)29(24,25)14-10(2)18-26-11(14)3/h13H,5-9H2,1-4H3/t13-/m1/s1

InChI Key

PTLIOSUKLCCDQU-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD32248600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.52

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.020

Distribution Coefficient, logD

-0.020

Water Solubility, LogSw

-1.25

Polar Surface Area

117.314

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

SB57-1449 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB57-1449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB57-1449?
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What is the minimum amount of SB57-1449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB57-1449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB57-1449
  • 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 SB57-1449 available by request