SB59-0612 Screening compound: 6-benzyl-2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octane

SB59-0612 Screening compound: 6-benzyl-2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octane
SB59-0612 Screening compound: 6-benzyl-2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-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 SB59-0612
6-benzyl-2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-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

SB59-0612

Molecular Formula

C21H27N7O2S (C21 H27 N7 O2 S)

Compound Name

6-benzyl-2-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]octane

IUPAC name

6-benzyl-2-[(12-dimethyl-1H-imidazol-4-yl)sulfonyl]-8-(4-methyl-4H-124-triazol-3-yl)-26-diazaspiro[3.4]octane

SMILES

Cc1nc(S(N(C2)CC2(CN(Cc2ccccc2)C2)C2c2nncn2C)(=O)=O)cn1C

InChI

InChI=1S/C21H27N7O2S/c1-16-23-19(11-25(16)2)31(29,30)28-13-21(14-28)12-27(9-17-7-5-4-6-8-17)10-18(21)20-24-22-15-26(20)3/h4-8,11,15,18H,9-10,12-14H2,1-3H3/t18-/m1/s1

InChI Key

IBQCGXJDSXHJJF-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32249110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.394

Distribution Coefficient, logD

-2.063

Water Solubility, LogSw

-1.98

Polar Surface Area

73.103

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

9.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

SB59-0612 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with SB59-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB59-0612?
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What is the minimum amount of SB59-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB59-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB59-0612
  • 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 SB59-0612 available by request