8017-9462 Screening compound: 1-[(2-{[amino(imino)methyl]sulfanyl}ethyl)sulfanyl]octane
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 Key
MDL Number (MFCD)
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
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)