2897-1486 Screening compound: 4-[(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid

2897-1486 Screening compound: 4-[(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid
2897-1486 Screening compound: 4-[(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-1486
4-[(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic 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

2897-1486

Molecular Formula

C27H22N2O7S (C27 H22 N2 O7 S)

Compound Name

4-[(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid

IUPAC name

4-[(2-methoxy-4-{[(5E)-1-(4-methoxyphenyl)-46-dioxo-2-sulfanylidene-13-diazinan-5-ylidene]methyl}phenoxy)methyl]benzoic acid

SMILES

COc(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)cc(OC)c2OCc(cc2)ccc2C(O)=O)=O)C1=S

InChI

InChI=1S/C27H22N2O7S/c1-34-20-10-8-19(9-11-20)29-25(31)21(24(30)28-27(29)37)13-17-5-12-22(23(14-17)35-2)36-15-16-3-6-18(7-4-16)26(32)33/h3-14H,15H2,1-2H3,(H,32,33)(H,28,30,37)

InChI Key

LHDFQBXXSIPTMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.787

Distribution Coefficient, logD

0.816

Water Solubility, LogSw

-4.21

Polar Surface Area

91.125

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-7.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2897-1486 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 2897-1486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2897-1486?
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What is the minimum amount of 2897-1486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-1486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-1486
  • 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 2897-1486 available by request