6163-4424 Screening compound: 2-(3-methylbutyl)-1,2,4-triazaspiro[4.11]hexadecane-3-thione

6163-4424 Screening compound: 2-(3-methylbutyl)-1,2,4-triazaspiro[4.11]hexadecane-3-thione
6163-4424 Screening compound: 2-(3-methylbutyl)-1,2,4-triazaspiro[4.11]hexadecane-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6163-4424
2-(3-methylbutyl)-1,2,4-triazaspiro[4.11]hexadecane-3-thione

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

6163-4424

Molecular Formula

C18H35N3S (C18 H35 N3 S)

Compound Name

2-(3-methylbutyl)-1,2,4-triazaspiro[4.11]hexadecane-3-thione

IUPAC name

2-(3-methylbutyl)-124-triazaspiro[4.11]hexadecane-3-thione

SMILES

CC(C)CCN1NC2(CCCCCCCCCCC2)NC1=S

InChI

InChI=1S/C18H35N3S/c1-16(2)12-15-21-17(22)19-18(20-21)13-10-8-6-4-3-5-7-9-11-14-18/h16,20H,3-15H2,1-2H3,(H,19,22)

InChI Key

SEFCXMISUMCWNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09538152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.253

Distribution Coefficient, logD

6.253

Water Solubility, LogSw

-5.49

Polar Surface Area

29.893

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

94.40

6163-4424 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6163-4424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6163-4424?
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What is the minimum amount of 6163-4424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6163-4424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6163-4424
  • 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 6163-4424 available by request