K786-0844 Screening compound: 2-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]carbamoyl}benzoic acid

K786-0844 Screening compound: 2-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]carbamoyl}benzoic acid
K786-0844 Screening compound: 2-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]carbamoyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0844
2-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]carbamoyl}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

K786-0844

Molecular Formula

C17H15NO5 (C17 H15 NO5)

Compound Name

2-{[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]carbamoyl}benzoic acid

IUPAC name

2-{[(23-dihydro-14-benzodioxin-2-yl)methyl]carbamoyl}benzoic acid

SMILES

OC(c(cccc1)c1C(NCC1Oc(cccc2)c2OC1)=O)=O

InChI

InChI=1S/C17H15NO5/c19-16(12-5-1-2-6-13(12)17(20)21)18-9-11-10-22-14-7-3-4-8-15(14)23-11/h1-8,11H,9-10H2,(H,18,19)(H,20,21)/t11-/m0/s1

InChI Key

WGPKTSLFOQFARM-NSHDSACASA-N

MDL Number (MFCD)

MFCD01100776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.102

Distribution Coefficient, logD

-1.927

Water Solubility, LogSw

-2.68

Polar Surface Area

68.739

Acid Dissociation Constant (pKa)

3.37

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

K786-0844 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Cardiovascular Library (22201 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K786-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0844?
Check Price and Availability of K786-0844, 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 K786-0844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0844
  • 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 K786-0844 available by request