SC67-0602 Screening compound: 8-benzyl-2-methyl-4-(4-propyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane

SC67-0602 Screening compound: 8-benzyl-2-methyl-4-(4-propyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane
SC67-0602 Screening compound: 8-benzyl-2-methyl-4-(4-propyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC67-0602
8-benzyl-2-methyl-4-(4-propyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[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

SC67-0602

Molecular Formula

C21H31N5 (C21 H31 N5)

Compound Name

8-benzyl-2-methyl-4-(4-propyl-4H-1,2,4-triazol-3-yl)-2,8-diazaspiro[4.5]decane

IUPAC name

8-benzyl-2-methyl-4-(4-propyl-4H-124-triazol-3-yl)-28-diazaspiro[4.5]decane

SMILES

CCCn1c(C(CN(C)C2)C22CCN(Cc3ccccc3)CC2)nnc1

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.014

Distribution Coefficient, logD

-1.214

Water Solubility, LogSw

-1.84

Polar Surface Area

31.936

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

10.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

SC67-0602 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC67-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC67-0602?
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What is the minimum amount of SC67-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC67-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC67-0602
  • 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 SC67-0602 available by request