SB59-0649 Screening compound: [6-benzyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone

SB59-0649 Screening compound: [6-benzyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone
SB59-0649 Screening compound: [6-benzyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB59-0649
[6-benzyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl](2,4-dimethyl-1,3-thiazol-5-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

SB59-0649

Molecular Formula

C22H26N6OS (C22 H26 N6 OS)

Compound Name

[6-benzyl-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-2-yl](2,4-dimethyl-1,3-thiazol-5-yl)methanone

IUPAC name

6-benzyl-2-(24-dimethyl-13-thiazole-5-carbonyl)-8-(4-methyl-4H-124-triazol-3-yl)-26-diazaspiro[3.4]octane

SMILES

Cc1c(C(N(C2)CC2(CN(Cc2ccccc2)C2)C2c2nncn2C)=O)sc(C)n1

InChI

InChI=1S/C22H26N6OS/c1-15-19(30-16(2)24-15)21(29)28-12-22(13-28)11-27(9-17-7-5-4-6-8-17)10-18(22)20-25-23-14-26(20)3/h4-8,14,18H,9-13H2,1-3H3/t18-/m1/s1

InChI Key

BSYBGHHIWBRKNW-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32248625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.718

Distribution Coefficient, logD

-1.574

Water Solubility, LogSw

-2.14

Polar Surface Area

56.079

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

10.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

SB59-0649 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 SB59-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB59-0649?
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What is the minimum amount of SB59-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB59-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB59-0649
  • 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 SB59-0649 available by request