0906-2968 Screening compound: 4'-[(E)-{[2-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]-[1,1'-biphenyl]-4-yl acetate

0906-2968 Screening compound: 4'-[(E)-{[2-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]-[1,1'-biphenyl]-4-yl acetate
0906-2968 Screening compound: 4'-[(E)-{[2-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]-[1,1'-biphenyl]-4-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0906-2968
4'-[(E)-{[2-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]-[1,1'-biphenyl]-4-yl acetate

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

0906-2968

Molecular Formula

C28H20N2O2S (C28 H20 N2 O2 S)

Compound Name

4'-[(E)-{[2-(1,3-benzothiazol-2-yl)phenyl]imino}methyl]-[1,1'-biphenyl]-4-yl acetate

IUPAC name

4'-[(E)-{[2-(13-benzothiazol-2-yl)phenyl]imino}methyl]-[11'-biphenyl]-4-yl acetate

SMILES

CC(Oc(cc1)ccc1-c1ccc(/C=N/c(cccc2)c2-c2nc(cccc3)c3s2)cc1)=O

InChI

InChI=1S/C28H20N2O2S/c1-19(31)32-23-16-14-22(15-17-23)21-12-10-20(11-13-21)18-29-25-7-3-2-6-24(25)28-30-26-8-4-5-9-27(26)33-28/h2-18H,1H3

InChI Key

PKMWEESBDJNQFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.419

Distribution Coefficient, logD

6.416

Water Solubility, LogSw

-5.75

Polar Surface Area

37.596

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

0906-2968 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 0906-2968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0906-2968?
Check Price and Availability of 0906-2968, 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 0906-2968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0906-2968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0906-2968
  • 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 0906-2968 available by request