SB59-0436 Screening compound: 1-[2-(2-cyclopentylacetyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-6-yl]-2-methyl-1-propanone

SB59-0436 Screening compound: 1-[2-(2-cyclopentylacetyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-6-yl]-2-methyl-1-propanone
SB59-0436 Screening compound: 1-[2-(2-cyclopentylacetyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-6-yl]-2-methyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB59-0436
1-[2-(2-cyclopentylacetyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-6-yl]-2-methyl-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

SB59-0436

Molecular Formula

C20H31N5O2 (C20 H31 N5 O2)

Compound Name

1-[2-(2-cyclopentylacetyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-6-yl]-2-methyl-1-propanone

IUPAC name

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

SMILES

CC(C)C(N(C1)CC(C2)(CN2C(CC2CCCC2)=O)C1c1nncn1C)=O

InChI

InChI=1S/C20H31N5O2/c1-14(2)19(27)24-9-16(18-22-21-13-23(18)3)20(10-24)11-25(12-20)17(26)8-15-6-4-5-7-15/h13-16H,4-12H2,1-3H3/t16-/m0/s1

InChI Key

JTWWFWZTIKASJD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32248751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.151

Distribution Coefficient, logD

1.151

Water Solubility, LogSw

-1.20

Polar Surface Area

58.909

Acid Dissociation Constant (pKa)

22.65

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

80.00

SB59-0436 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SB59-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB59-0436?
Check Price and Availability of SB59-0436, 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 SB59-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB59-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB59-0436
  • 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 SB59-0436 available by request