3554-0539 Screening compound: propyl 5-(3,4-dibenzamidothiolan-2-yl)pentanoate

3554-0539 Screening compound: propyl 5-(3,4-dibenzamidothiolan-2-yl)pentanoate
3554-0539 Screening compound: propyl 5-(3,4-dibenzamidothiolan-2-yl)pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3554-0539
propyl 5-(3,4-dibenzamidothiolan-2-yl)pentanoate

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

3554-0539

Molecular Formula

C26H32N2O4S (C26 H32 N2 O4 S)

Compound Name

propyl 5-(3,4-dibenzamidothiolan-2-yl)pentanoate

IUPAC name

propyl 5-(34-dibenzamidothiolan-2-yl)pentanoate

SMILES

CCCOC(CCCCC(C1NC(c2ccccc2)=O)SCC1NC(c1ccccc1)=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

4.191

Water Solubility, LogSw

-4.05

Polar Surface Area

70.313

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

-4.68

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

42.30

3554-0539 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 3554-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3554-0539?
Check Price and Availability of 3554-0539, 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 3554-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3554-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3554-0539
  • 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 3554-0539 available by request