SB59-0109 Screening compound: (1-methylcyclohexyl)[6-(methylsulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl]methanone

SB59-0109 Screening compound: (1-methylcyclohexyl)[6-(methylsulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl]methanone
SB59-0109 Screening compound: (1-methylcyclohexyl)[6-(methylsulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB59-0109
(1-methylcyclohexyl)[6-(methylsulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl]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

SB59-0109

Molecular Formula

C18H29N5O3S (C18 H29 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC1(CCCCC1)C(N(C1)CC1(CN(C1)S(C)(=O)=O)C1c1nncn1C)=O

InChI

InChI=1S/C18H29N5O3S/c1-17(7-5-4-6-8-17)16(24)22-10-18(11-22)12-23(27(3,25)26)9-14(18)15-20-19-13-21(15)2/h13-14H,4-12H2,1-3H3/t14-/m0/s1

InChI Key

PWBCVKXEMZMIBJ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD32249010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.495

Distribution Coefficient, logD

0.495

Water Solubility, LogSw

-1.47

Polar Surface Area

73.625

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

83.33

SB59-0109 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB59-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB59-0109?
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What is the minimum amount of SB59-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB59-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB59-0109
  • 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 SB59-0109 available by request