SB59-0148 Screening compound: 1-[6-(methylsulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-phenoxy-1-ethanone

SB59-0148 Screening compound: 1-[6-(methylsulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-phenoxy-1-ethanone
SB59-0148 Screening compound: 1-[6-(methylsulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-phenoxy-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB59-0148
1-[6-(methylsulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-phenoxy-1-ethanone

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

SB59-0148

Molecular Formula

C18H23N5O4S (C18 H23 N5 O4 S)

Compound Name

1-[6-(methylsulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-phenoxy-1-ethanone

IUPAC name

1-[6-methanesulfonyl-8-(4-methyl-4H-124-triazol-3-yl)-26-diazaspiro[3.4]octan-2-yl]-2-phenoxyethan-1-one

SMILES

Cn1c(C(C2)C(C3)(CN3C(COc3ccccc3)=O)CN2S(C)(=O)=O)nnc1

InChI

InChI=1S/C18H23N5O4S/c1-21-13-19-20-17(21)15-8-23(28(2,25)26)12-18(15)10-22(11-18)16(24)9-27-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3/t15-/m0/s1

InChI Key

OOFIKHMZZRPFOI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32249057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.501

Distribution Coefficient, logD

-0.501

Water Solubility, LogSw

-1.87

Polar Surface Area

80.405

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SB59-0148 in Drug Discovery

Included in Screening Libraries

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 SB59-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB59-0148?
Check Price and Availability of SB59-0148, 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 SB59-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB59-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB59-0148
  • 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 SB59-0148 available by request