Y041-1746 Screening compound: 3-(benzylsulfanyl)-2-{2-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}propanoic acid

Y041-1746 Screening compound: 3-(benzylsulfanyl)-2-{2-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}propanoic acid
Y041-1746 Screening compound: 3-(benzylsulfanyl)-2-{2-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1746
3-(benzylsulfanyl)-2-{2-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}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

Y041-1746

Molecular Formula

C30H24FNO6S (C30 H24 FNO6 S)

Compound Name

3-(benzylsulfanyl)-2-{2-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetamido}propanoic acid

IUPAC name

(2S)-3-(benzylsulfanyl)-2-{2-[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[32-g]chromen-6-yl]acetamido}propanoic acid

SMILES

CC(c(cc(c(-c(cc1)ccc1F)co1)c1c1)c1O1)=C(CC(NC(CSCc2ccccc2)C(O)=O)=O)C1=O

InChI

InChI=1S/C30H24FNO6S/c1-17-21-11-23-24(19-7-9-20(31)10-8-19)14-37-26(23)13-27(21)38-30(36)22(17)12-28(33)32-25(29(34)35)16-39-15-18-5-3-2-4-6-18/h2-11,13-14,25H,12,15-16H2,1H3,(H,32,33)(H,34,35)/t25-/m0/s1

InChI Key

KXNGENNAHPKZOM-VWLOTQADSA-N

MDL Number (MFCD)

MFCD05672808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.369

Distribution Coefficient, logD

0.014

Water Solubility, LogSw

-4.35

Polar Surface Area

82.687

Acid Dissociation Constant (pKa)

3.05

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

Y041-1746 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y041-1746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1746?
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What is the minimum amount of Y041-1746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1746
  • 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 Y041-1746 available by request