2765-0618 Screening compound: ethyl 5-[(carbamimidoylsulfanyl)methyl]-3-heptyl-2-oxooxolane-3-carboxylate

2765-0618 Screening compound: ethyl 5-[(carbamimidoylsulfanyl)methyl]-3-heptyl-2-oxooxolane-3-carboxylate
2765-0618 Screening compound: ethyl 5-[(carbamimidoylsulfanyl)methyl]-3-heptyl-2-oxooxolane-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2765-0618
ethyl 5-[(carbamimidoylsulfanyl)methyl]-3-heptyl-2-oxooxolane-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

2765-0618

Molecular Formula

C16H28N2O4S (C16 H28 N2 O4 S)

Compound Name

ethyl 5-[(carbamimidoylsulfanyl)methyl]-3-heptyl-2-oxooxolane-3-carboxylate

IUPAC name

ethyl 5-[(carbamimidoylsulfanyl)methyl]-3-heptyl-2-oxooxolane-3-carboxylate

SMILES

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

InChI

InChI=1S/C16H28N2O4S/c1-3-5-6-7-8-9-16(13(19)21-4-2)10-12(22-14(16)20)11-23-15(17)18/h12H,3-11H2,1-2H3,(H3,17,18)

InChI Key

ABCDBOKKOWMMLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01088799

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

344.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-3.54

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

81.30

References: we are preparing a list of scientific research reports with 2765-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2765-0618?
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What is the minimum amount of 2765-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2765-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2765-0618
  • 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 2765-0618 available by request