Y041-2108 Screening compound: 3-(benzylsulfanyl)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]propanoic acid

Y041-2108 Screening compound: 3-(benzylsulfanyl)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]propanoic acid
Y041-2108 Screening compound: 3-(benzylsulfanyl)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2108
3-(benzylsulfanyl)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]propanoic acid

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

Y041-2108

Molecular Formula

C24H25NO6S (C24 H25 NO6 S)

Compound Name

3-(benzylsulfanyl)-2-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]propanoic acid

IUPAC name

(2S)-3-(benzylsulfanyl)-2-[3-(7-hydroxy-48-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]propanoic acid

SMILES

Cc(c(O1)c(cc2)C(C)=C(CCC(NC(CSCc3ccccc3)C(O)=O)=O)C1=O)c2O

InChI

InChI=1S/C24H25NO6S/c1-14-17-8-10-20(26)15(2)22(17)31-24(30)18(14)9-11-21(27)25-19(23(28)29)13-32-12-16-6-4-3-5-7-16/h3-8,10,19,26H,9,11-13H2,1-2H3,(H,25,27)(H,28,29)/t19-/m0/s1

InChI Key

SKIXMKPOJFKOBJ-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.475

Distribution Coefficient, logD

-1.880

Water Solubility, LogSw

-2.97

Polar Surface Area

89.631

Acid Dissociation Constant (pKa)

3.05

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

Y041-2108 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-2108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2108?
Check Price and Availability of Y041-2108, 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 Y041-2108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2108
  • 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 Y041-2108 available by request