Y041-1734 Screening compound: 3-(benzylsulfanyl)-2-[3-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]propanoic acid

Y041-1734 Screening compound: 3-(benzylsulfanyl)-2-[3-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]propanoic acid
Y041-1734 Screening compound: 3-(benzylsulfanyl)-2-[3-(7-methoxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1734
3-(benzylsulfanyl)-2-[3-(7-methoxy-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

Y041-1734

Molecular Formula

C25H27NO6S (C25 H27 NO6 S)

Compound Name

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

IUPAC name

(2S)-3-(benzylsulfanyl)-2-[3-(7-methoxy-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)c2OC

InChI

InChI=1S/C25H27NO6S/c1-15-18-9-11-21(31-3)16(2)23(18)32-25(30)19(15)10-12-22(27)26-20(24(28)29)14-33-13-17-7-5-4-6-8-17/h4-9,11,20H,10,12-14H2,1-3H3,(H,26,27)(H,28,29)/t20-/m0/s1

InChI Key

DRPDQJXWWGSWPA-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.955

Distribution Coefficient, logD

-1.400

Water Solubility, LogSw

-3.42

Polar Surface Area

80.713

Acid Dissociation Constant (pKa)

3.05

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

Y041-1734 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y041-1734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1734?
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What is the minimum amount of Y041-1734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1734
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1734
  • 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 Y041-1734 available by request