SC55-1222 Screening compound: 1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-(2-fluorophenyl)-1-ethanone

SC55-1222 Screening compound: 1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-(2-fluorophenyl)-1-ethanone
SC55-1222 Screening compound: 1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-(2-fluorophenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC55-1222
1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-(2-fluorophenyl)-1-ethanone

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

SC55-1222

Molecular Formula

C24H26FN5O (C24 H26 FN5 O)

Compound Name

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

IUPAC name

1-[6-benzyl-8-(3-methyl-1H-124-triazol-5-yl)-26-diazaspiro[3.4]octan-2-yl]-2-(2-fluorophenyl)ethan-1-one

SMILES

Cc1n[nH]c(C2C(C3)(CN3C(Cc(cccc3)c3F)=O)CN(Cc3ccccc3)C2)n1

InChI

InChI=1S/C24H26FN5O/c1-17-26-23(28-27-17)20-13-29(12-18-7-3-2-4-8-18)14-24(20)15-30(16-24)22(31)11-19-9-5-6-10-21(19)25/h2-10,20H,11-16H2,1H3,(H,26,27,28)/t20-/m1/s1

InChI Key

DOSFGGDRVNOVBD-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD32259139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.760

Distribution Coefficient, logD

-1.541

Water Solubility, LogSw

-2.92

Polar Surface Area

53.649

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

11.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

SC55-1222 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with SC55-1222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC55-1222?
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What is the minimum amount of SC55-1222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC55-1222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC55-1222
  • 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 SC55-1222 available by request