5604-0148 Screening compound: ethyl 5-[(carbamimidoylsulfanyl)methyl]-2-oxo-3-propyloxolane-3-carboxylate

5604-0148 Screening compound: ethyl 5-[(carbamimidoylsulfanyl)methyl]-2-oxo-3-propyloxolane-3-carboxylate
5604-0148 Screening compound: ethyl 5-[(carbamimidoylsulfanyl)methyl]-2-oxo-3-propyloxolane-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5604-0148
ethyl 5-[(carbamimidoylsulfanyl)methyl]-2-oxo-3-propyloxolane-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

5604-0148

Molecular Formula

C12H20N2O4S (C12 H20 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C12H20N2O4S/c1-3-5-12(9(15)17-4-2)6-8(18-10(12)16)7-19-11(13)14/h8H,3-7H2,1-2H3,(H3,13,14)

InChI Key

FVMXZJUGGLQTQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01817296

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

288.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.403

Distribution Coefficient, logD

0.444

Water Solubility, LogSw

-1.76

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

75.00

5604-0148 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 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 5604-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5604-0148?
Check Price and Availability of 5604-0148, 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 5604-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5604-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5604-0148
  • 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 5604-0148 available by request