SC68-0070 Screening compound: 2-(2-chlorobenzyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane

SC68-0070 Screening compound: 2-(2-chlorobenzyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane
SC68-0070 Screening compound: 2-(2-chlorobenzyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-0070
2-(2-chlorobenzyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane

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

SC68-0070

Molecular Formula

C19H25ClN4 (C19 H25 ClN4)

Compound Name

2-(2-chlorobenzyl)-4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane

IUPAC name

2-[(2-chlorophenyl)methyl]-4-(4-methyl-4H-124-triazol-3-yl)-2-azaspiro[4.5]decane

SMILES

Cn1c(C(CN(Cc(cccc2)c2Cl)C2)C22CCCCC2)nnc1

InChI

InChI=1S/C19H25ClN4/c1-23-14-21-22-18(23)16-12-24(11-15-7-3-4-8-17(15)20)13-19(16)9-5-2-6-10-19/h3-4,7-8,14,16H,2,5-6,9-13H2,1H3/t16-/m0/s1

InChI Key

AVYHWLPJBPPPEE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD32257973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.89

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.097

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-3.36

Polar Surface Area

29.037

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

SC68-0070 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SC68-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-0070?
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What is the minimum amount of SC68-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-0070
  • 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 SC68-0070 available by request