4218-0027 Screening compound: 6H-dibenzo[c,e][1,2]oxaborinin-6-ol

4218-0027 Screening compound: 6H-dibenzo[c,e][1,2]oxaborinin-6-ol
4218-0027 Screening compound: 6H-dibenzo[c,e][1,2]oxaborinin-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4218-0027
6H-dibenzo[c,e][1,2]oxaborinin-6-ol

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

4218-0027

Molecular Formula

C12H9BO2 (C12 H9 BO2)

Compound Name

6H-dibenzo[c,e][1,2]oxaborinin-6-ol

IUPAC name

8-oxa-9-boratricyclo[8.4.0.0^{27}]tetradeca-1(10)2(7)351113-hexaen-9-ol

SMILES

OB1Oc(cccc2)c2-c2c1cccc2

InChI

InChI=1S/C12H9BO2/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15-13/h1-8,14H

InChI Key

TVMGRHFILUALSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

196.01

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.498

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-2.52

Polar Surface Area

29.514

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4218-0027 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4218-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4218-0027?
Check Price and Availability of 4218-0027, 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 4218-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4218-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4218-0027
  • 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 4218-0027 available by request