4075-3239 Screening compound: 2-benzyl-5-butoxy-4-hydroxy-N-[(phenylcarbamothioyl)amino]pentanamide

4075-3239 Screening compound: 2-benzyl-5-butoxy-4-hydroxy-N-[(phenylcarbamothioyl)amino]pentanamide
4075-3239 Screening compound: 2-benzyl-5-butoxy-4-hydroxy-N-[(phenylcarbamothioyl)amino]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4075-3239
2-benzyl-5-butoxy-4-hydroxy-N-[(phenylcarbamothioyl)amino]pentanamide

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

4075-3239

Molecular Formula

C23H31N3O3S (C23 H31 N3 O3 S)

Compound Name

2-benzyl-5-butoxy-4-hydroxy-N-[(phenylcarbamothioyl)amino]pentanamide

IUPAC name

2-benzyl-5-butoxy-4-hydroxy-N-[(phenylcarbamothioyl)amino]pentanamide

SMILES

CCCCOCC(CC(Cc1ccccc1)C(NNC(Nc1ccccc1)=S)=O)O

InChI

InChI=1S/C23H31N3O3S/c1-2-3-14-29-17-21(27)16-19(15-18-10-6-4-7-11-18)22(28)25-26-23(30)24-20-12-8-5-9-13-20/h4-13,19,21,27H,2-3,14-17H2,1H3,(H,25,28)(H2,24,26,30)

InChI Key

LAMBYBRECYZWRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01556640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.956

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-3.85

Polar Surface Area

72.138

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

4075-3239 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4075-3239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4075-3239?
Check Price and Availability of 4075-3239, 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 4075-3239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4075-3239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4075-3239
  • 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 4075-3239 available by request