Y041-4781 Screening compound: methyl 4-({[(11E)-14-{[4-(methoxycarbonyl)phenyl]methoxy}-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-16-yl]oxy}methyl)benzoate

Y041-4781 Screening compound: methyl 4-({[(11E)-14-{[4-(methoxycarbonyl)phenyl]methoxy}-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-16-yl]oxy}methyl)benzoate
Y041-4781 Screening compound: methyl 4-({[(11E)-14-{[4-(methoxycarbonyl)phenyl]methoxy}-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-16-yl]oxy}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4781
methyl 4-({[(11E)-14-{[4-(methoxycarbonyl)phenyl]methoxy}-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-16-yl]oxy}methyl)benzoate

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

Y041-4781

Molecular Formula

C36H38O9 (C36 H38 O9)

Compound Name

methyl 4-({[(11E)-14-{[4-(methoxycarbonyl)phenyl]methoxy}-3-methyl-1,7-dioxo-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-16-yl]oxy}methyl)benzoate

IUPAC name

methyl 4-({[(3S11E)-14-{[4-(methoxycarbonyl)phenyl]methoxy}-3-methyl-17-dioxo-345678910-octahydro-1H-2-benzoxacyclotetradecin-16-yl]oxy}methyl)benzoate

SMILES

CC(CCCC(CCC/C=C/c1cc(OCc(cc2)ccc2C(OC)=O)cc(OCc(cc2)ccc2C(OC)=O)c11)=O)OC1=O

InChI

InChI=1S/C36H38O9/c1-24-8-7-11-30(37)10-6-4-5-9-29-20-31(43-22-25-12-16-27(17-13-25)34(38)41-2)21-32(33(29)36(40)45-24)44-23-26-14-18-28(19-15-26)35(39)42-3/h5,9,12-21,24H,4,6-8,10-11,22-23H2,1-3H3/t24-/m0/s1

InChI Key

LTZQLWAKDPYGCC-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD02673812

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

614.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.896

Distribution Coefficient, logD

6.896

Water Solubility, LogSw

-5.76

Polar Surface Area

91.680

Acid Dissociation Constant (pKa)

21.60

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

Y041-4781 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 Y041-4781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4781?
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What is the minimum amount of Y041-4781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4781
  • 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 Y041-4781 available by request