SB59-0170 Screening compound: 2-(4-isopropylbenzyl)-6-(methylsulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octane

SB59-0170 Screening compound: 2-(4-isopropylbenzyl)-6-(methylsulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octane
SB59-0170 Screening compound: 2-(4-isopropylbenzyl)-6-(methylsulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SB59-0170
2-(4-isopropylbenzyl)-6-(methylsulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octane

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

SB59-0170

Molecular Formula

C20H29N5O2S (C20 H29 N5 O2 S)

Compound Name

2-(4-isopropylbenzyl)-6-(methylsulfonyl)-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octane

IUPAC name

6-methanesulfonyl-8-(4-methyl-4H-124-triazol-3-yl)-2-{[4-(propan-2-yl)phenyl]methyl}-26-diazaspiro[3.4]octane

SMILES

CC(C)c1ccc(CN(C2)CC2(CN(C2)S(C)(=O)=O)C2c2nncn2C)cc1

InChI

InChI=1S/C20H29N5O2S/c1-15(2)17-7-5-16(6-8-17)9-24-11-20(12-24)13-25(28(4,26)27)10-18(20)19-22-21-14-23(19)3/h5-8,14-15,18H,9-13H2,1-4H3/t18-/m0/s1

InChI Key

CUODUQJZJGMDPZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32249102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.606

Distribution Coefficient, logD

-2.371

Water Solubility, LogSw

-2.33

Polar Surface Area

60.517

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

11.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

References: we are preparing a list of scientific research reports with SB59-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB59-0170?
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What is the minimum amount of SB59-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB59-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB59-0170
  • 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 SB59-0170 available by request