8006-6898 Screening compound: 4-{[2,2-dimethyl-1-(phenoxymethyl)propyl]imino}-1-isobutyl-1,3-diazaspiro[4.5]decane-2-thione

8006-6898 Screening compound: 4-{[2,2-dimethyl-1-(phenoxymethyl)propyl]imino}-1-isobutyl-1,3-diazaspiro[4.5]decane-2-thione
8006-6898 Screening compound: 4-{[2,2-dimethyl-1-(phenoxymethyl)propyl]imino}-1-isobutyl-1,3-diazaspiro[4.5]decane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6898
4-{[2,2-dimethyl-1-(phenoxymethyl)propyl]imino}-1-isobutyl-1,3-diazaspiro[4.5]decane-2-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

8006-6898

Molecular Formula

C24H37N3OS (C24 H37 N3 OS)

Compound Name

4-{[2,2-dimethyl-1-(phenoxymethyl)propyl]imino}-1-isobutyl-1,3-diazaspiro[4.5]decane-2-thione

IUPAC name

(4Z)-4-[(33-dimethyl-1-phenoxybutan-2-yl)imino]-1-(2-methylpropyl)-13-diazaspiro[4.5]decane-2-thione

SMILES

CC(C)CN(C1(CCCCC1)/C(/N1)=N/C(COc2ccccc2)C(C)(C)C)C1=S

InChI

InChI=1S/C24H37N3OS/c1-18(2)16-27-22(29)26-21(24(27)14-10-7-11-15-24)25-20(23(3,4)5)17-28-19-12-8-6-9-13-19/h6,8-9,12-13,18,20H,7,10-11,14-17H2,1-5H3,(H,25,26,29)/t20-/m0/s1

InChI Key

NLIADRBUYAUTJZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00595422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.907

Distribution Coefficient, logD

6.140

Water Solubility, LogSw

-5.76

Polar Surface Area

30.869

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

8006-6898 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-6898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6898?
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What is the minimum amount of 8006-6898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6898
  • 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 8006-6898 available by request