SC55-1298 Screening compound: 1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-(4-fluorophenoxy)-1-ethanone

SC55-1298 Screening compound: 1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-(4-fluorophenoxy)-1-ethanone
SC55-1298 Screening compound: 1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-(4-fluorophenoxy)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC55-1298
1-[6-benzyl-8-(3-methyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]-2-(4-fluorophenoxy)-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

SC55-1298

Molecular Formula

C24H26FN5O2 (C24 H26 FN5 O2)

Compound Name

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

IUPAC name

1-[6-benzyl-8-(3-methyl-1H-124-triazol-5-yl)-26-diazaspiro[3.4]octan-2-yl]-2-(4-fluorophenoxy)ethan-1-one

SMILES

Cc1n[nH]c(C2C(C3)(CN3C(COc(cc3)ccc3F)=O)CN(Cc3ccccc3)C2)n1

InChI

InChI=1S/C24H26FN5O2/c1-17-26-23(28-27-17)21-12-29(11-18-5-3-2-4-6-18)14-24(21)15-30(16-24)22(31)13-32-20-9-7-19(25)8-10-20/h2-10,21H,11-16H2,1H3,(H,26,27,28)/t21-/m1/s1

InChI Key

KVSNLAXLAUHQBQ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD32257476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.057

Distribution Coefficient, logD

-2.244

Water Solubility, LogSw

-2.49

Polar Surface Area

61.148

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

11.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

SC55-1298 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SC55-1298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC55-1298?
Check Price and Availability of SC55-1298, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SC55-1298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC55-1298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC55-1298
  • 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 SC55-1298 available by request