Y043-3731 Screening compound: 5-[(3S)-1,2-dithiolan-3-yl]-N~1~-(3,4,5-trimethoxyphenyl)pentanamide

Y043-3731 Screening compound: 5-[(3S)-1,2-dithiolan-3-yl]-N~1~-(3,4,5-trimethoxyphenyl)pentanamide
Y043-3731 Screening compound: 5-[(3S)-1,2-dithiolan-3-yl]-N~1~-(3,4,5-trimethoxyphenyl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-3731
5-[(3S)-1,2-dithiolan-3-yl]-N~1~-(3,4,5-trimethoxyphenyl)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

Y043-3731

Molecular Formula

C17H25NO4S2 (C17 H25 NO4 S2)

Compound Name

5-[(3S)-1,2-dithiolan-3-yl]-N~1~-(3,4,5-trimethoxyphenyl)pentanamide

IUPAC name

5-[(3S)-12-dithiolan-3-yl]-N-(345-trimethoxyphenyl)pentanamide

SMILES

COc1cc(NC(CCCCC2SSCC2)=O)cc(OC)c1OC

InChI

InChI=1S/C17H25NO4S2/c1-20-14-10-12(11-15(21-2)17(14)22-3)18-16(19)7-5-4-6-13-8-9-23-24-13/h10-11,13H,4-9H2,1-3H3,(H,18,19)/t13-/m0/s1

InChI Key

OSNXLIXFCYCBBN-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.001

Distribution Coefficient, logD

3.000

Water Solubility, LogSw

-3.27

Polar Surface Area

46.652

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

Y043-3731 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y043-3731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-3731?
Check Price and Availability of Y043-3731, 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 Y043-3731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-3731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-3731
  • 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 Y043-3731 available by request