SB59-0676 Screening compound: [6-benzyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl](2-pyrazinyl)methanone

SB59-0676 Screening compound: [6-benzyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl](2-pyrazinyl)methanone
SB59-0676 Screening compound: [6-benzyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl](2-pyrazinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB59-0676
[6-benzyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl](2-pyrazinyl)methanone

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

SB59-0676

Molecular Formula

C21H23N7O (C21 H23 N7 O)

Compound Name

[6-benzyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl](2-pyrazinyl)methanone

IUPAC name

6-benzyl-8-(4-methyl-4H-124-triazol-3-yl)-2-(pyrazine-2-carbonyl)-26-diazaspiro[3.4]octane

SMILES

Cn1c(C2C(C3)(CN3C(c3nccnc3)=O)CN(Cc3ccccc3)C2)nnc1

InChI

InChI=1S/C21H23N7O/c1-26-15-24-25-19(26)17-11-27(10-16-5-3-2-4-6-16)12-21(17)13-28(14-21)20(29)18-9-22-7-8-23-18/h2-9,15,17H,10-14H2,1H3/t17-/m1/s1

InChI Key

CBYQMGXIMMSSLA-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD32248755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.134

Distribution Coefficient, logD

-3.158

Water Solubility, LogSw

-0.79

Polar Surface Area

64.256

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

10.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

SB59-0676 in Drug Discovery

Included in Screening Libraries

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 SB59-0676 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB59-0676?
Check Price and Availability of SB59-0676, 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 SB59-0676 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB59-0676
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB59-0676
  • 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 SB59-0676 available by request