SB57-1546 Screening compound: 1-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(methylsulfonyl)-2,6-diazaspiro[3.4]oct-2-yl]-3-(3,5-dimethyl-4-isoxazolyl)-1-propanone

SB57-1546 Screening compound: 1-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(methylsulfonyl)-2,6-diazaspiro[3.4]oct-2-yl]-3-(3,5-dimethyl-4-isoxazolyl)-1-propanone
SB57-1546 Screening compound: 1-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(methylsulfonyl)-2,6-diazaspiro[3.4]oct-2-yl]-3-(3,5-dimethyl-4-isoxazolyl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB57-1546
1-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(methylsulfonyl)-2,6-diazaspiro[3.4]oct-2-yl]-3-(3,5-dimethyl-4-isoxazolyl)-1-propanone

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

SB57-1546

Molecular Formula

C20H27N5O5S (C20 H27 N5 O5 S)

Compound Name

1-[8-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-6-(methylsulfonyl)-2,6-diazaspiro[3.4]oct-2-yl]-3-(3,5-dimethyl-4-isoxazolyl)-1-propanone

IUPAC name

1-[8-(3-cyclopropyl-124-oxadiazol-5-yl)-6-methanesulfonyl-26-diazaspiro[3.4]octan-2-yl]-3-(35-dimethyl-12-oxazol-4-yl)propan-1-one

SMILES

Cc1noc(C)c1CCC(N(C1)CC1(CN(C1)S(C)(=O)=O)C1c1nc(C2CC2)no1)=O

InChI

InChI=1S/C20H27N5O5S/c1-12-15(13(2)29-22-12)6-7-17(26)24-9-20(10-24)11-25(31(3,27)28)8-16(20)19-21-18(23-30-19)14-4-5-14/h14,16H,4-11H2,1-3H3/t16-/m0/s1

InChI Key

LZQSCRPMSMZMNR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32248924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.264

Distribution Coefficient, logD

1.264

Water Solubility, LogSw

-1.76

Polar Surface Area

101.961

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

SB57-1546 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 SB57-1546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB57-1546?
Check Price and Availability of SB57-1546, 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 SB57-1546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB57-1546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB57-1546
  • 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 SB57-1546 available by request