8017-9462 Screening compound: 1-[(2-{[amino(imino)methyl]sulfanyl}ethyl)sulfanyl]octane

8017-9462 Screening compound: 1-[(2-{[amino(imino)methyl]sulfanyl}ethyl)sulfanyl]octane
8017-9462 Screening compound: 1-[(2-{[amino(imino)methyl]sulfanyl}ethyl)sulfanyl]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9462
1-[(2-{[amino(imino)methyl]sulfanyl}ethyl)sulfanyl]octane

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

8017-9462

Molecular Formula

C11H24N2S2 (C11 H24 N2 S2)

Compound Name

1-[(2-{[amino(imino)methyl]sulfanyl}ethyl)sulfanyl]octane

IUPAC name

{[2-(octylsulfanyl)ethyl]sulfanyl}methanimidamide

SMILES

CCCCCCCCSCCSC(N)=N

InChI

InChI=1S/C11H24N2S2/c1-2-3-4-5-6-7-8-14-9-10-15-11(12)13/h2-10H2,1H3,(H3,12,13)

InChI Key

PWHVAWKGVACINA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06619392

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

248.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.883

Distribution Coefficient, logD

2.373

Water Solubility, LogSw

-3.89

Polar Surface Area

40.281

Acid Dissociation Constant (pKa)

15.77

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

90.91

8017-9462 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-9462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9462?
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What is the minimum amount of 8017-9462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9462
  • 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 8017-9462 available by request