8004-0786 Screening compound: 2-methoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate

8004-0786 Screening compound: 2-methoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate
8004-0786 Screening compound: 2-methoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-0786
2-methoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate

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

8004-0786

Molecular Formula

C34H42N2O8 (C34 H42 N2 O8)

Compound Name

2-methoxy-4-[(E)-({2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate

IUPAC name

2-methoxy-4-[(E)-({2-[4-(244-trimethylpentan-2-yl)phenoxy]acetamido}imino)methyl]phenyl 345-trimethoxybenzoate

SMILES

CC(C)(C)CC(C)(C)c(cc1)ccc1OCC(N/N=C/c(cc1)cc(OC)c1OC(c(cc1OC)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C34H42N2O8/c1-33(2,3)21-34(4,5)24-11-13-25(14-12-24)43-20-30(37)36-35-19-22-10-15-26(27(16-22)39-6)44-32(38)23-17-28(40-7)31(42-9)29(18-23)41-8/h10-19H,20-21H2,1-9H3,(H,36,37)

InChI Key

OQZORIZRYSPIJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.72

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.597

Distribution Coefficient, logD

6.597

Water Solubility, LogSw

-5.73

Polar Surface Area

93.913

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.20

8004-0786 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 8004-0786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-0786?
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What is the minimum amount of 8004-0786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-0786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-0786
  • 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 8004-0786 available by request