Y041-4664 Screening compound: 2-(2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-methylbutanoic acid

Y041-4664 Screening compound: 2-(2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-methylbutanoic acid
Y041-4664 Screening compound: 2-(2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4664
2-(2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-methylbutanoic 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

Y041-4664

Molecular Formula

C26H27NO8 (C26 H27 NO8)

Compound Name

2-(2-{[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-methylbutanoic acid

IUPAC name

(2R)-2-(2-{[3-(34-dihydro-2H-15-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetamido)-3-methylbutanoic acid

SMILES

CC(C)C(C(O)=O)NC(COc(cc1)cc(OC(C)=C2c(cc3)cc4c3OCCCO4)c1C2=O)=O

InChI

InChI=1S/C26H27NO8/c1-14(2)24(26(30)31)27-22(28)13-34-17-6-7-18-20(12-17)35-15(3)23(25(18)29)16-5-8-19-21(11-16)33-10-4-9-32-19/h5-8,11-12,14,24H,4,9-10,13H2,1-3H3,(H,27,28)(H,30,31)/t24-/m0/s1

InChI Key

AJPHCNPBBKICTI-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01546767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.371

Distribution Coefficient, logD

-2.216

Water Solubility, LogSw

-2.43

Polar Surface Area

96.211

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.62

Y041-4664 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 Y041-4664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4664?
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What is the minimum amount of Y041-4664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4664
  • 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 Y041-4664 available by request