3886-0958 Screening compound: ethyl 5-[(carbamimidoylsulfanyl)methyl]-2-oxo-3-pentyloxolane-3-carboxylate

3886-0958 Screening compound: ethyl 5-[(carbamimidoylsulfanyl)methyl]-2-oxo-3-pentyloxolane-3-carboxylate
3886-0958 Screening compound: ethyl 5-[(carbamimidoylsulfanyl)methyl]-2-oxo-3-pentyloxolane-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3886-0958
ethyl 5-[(carbamimidoylsulfanyl)methyl]-2-oxo-3-pentyloxolane-3-carboxylate

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

3886-0958

Molecular Formula

C14H24N2O4S (C14 H24 N2 O4 S)

Compound Name

ethyl 5-[(carbamimidoylsulfanyl)methyl]-2-oxo-3-pentyloxolane-3-carboxylate

IUPAC name

ethyl 5-[(carbamimidoylsulfanyl)methyl]-2-oxo-3-pentyloxolane-3-carboxylate

SMILES

CCCCCC(CC(CSC(N)=N)O1)(C(OCC)=O)C1=O

InChI

InChI=1S/C14H24N2O4S/c1-3-5-6-7-14(11(17)19-4-2)8-10(20-12(14)18)9-21-13(15)16/h10H,3-9H2,1-2H3,(H3,15,16)

InChI Key

ZZDUENIWLHLXCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01086876

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

316.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.465

Distribution Coefficient, logD

1.506

Water Solubility, LogSw

-2.64

Polar Surface Area

82.467

Acid Dissociation Constant (pKa)

15.77

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

78.60

3886-0958 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3886-0958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3886-0958?
Check Price and Availability of 3886-0958, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3886-0958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3886-0958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3886-0958
  • 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 3886-0958 available by request