2896-0149 Screening compound: 2-(3-{[(5Z)-2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid

2896-0149 Screening compound: 2-(3-{[(5Z)-2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid
2896-0149 Screening compound: 2-(3-{[(5Z)-2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2896-0149
2-(3-{[(5Z)-2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic 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

2896-0149

Molecular Formula

C19H14N2O6 (C19 H14 N2 O6)

Compound Name

2-(3-{[(5Z)-2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene]methyl}phenoxy)acetic acid

IUPAC name

2-(3-{[(5Z)-246-trioxo-1-phenyl-13-diazinan-5-ylidene]methyl}phenoxy)acetic acid

SMILES

OC(COc1cccc(/C=C(/C(NC(N2c3ccccc3)=O)=O)\C2=O)c1)=O

InChI

InChI=1S/C19H14N2O6/c22-16(23)11-27-14-8-4-5-12(9-14)10-15-17(24)20-19(26)21(18(15)25)13-6-2-1-3-7-13/h1-10H,11H2,(H,22,23)(H,20,24,26)

InChI Key

SJUMQJDIMODIMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085028

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.532

Distribution Coefficient, logD

-2.705

Water Solubility, LogSw

-2.14

Polar Surface Area

89.274

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

2896-0149 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 2896-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2896-0149?
Check Price and Availability of 2896-0149, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2896-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2896-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2896-0149
  • 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 2896-0149 available by request