8002-6692 Screening compound: 4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]phenyl furan-2-carboxylate

8002-6692 Screening compound: 4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]phenyl furan-2-carboxylate
8002-6692 Screening compound: 4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-6692
4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]phenyl furan-2-carboxylate

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

8002-6692

Molecular Formula

C21H16N2O6 (C21 H16 N2 O6)

Compound Name

4-[(E)-{[(2,3-dihydro-1,4-benzodioxin-6-yl)formamido]imino}methyl]phenyl furan-2-carboxylate

IUPAC name

4-[(E)-{[(23-dihydro-14-benzodioxin-6-yl)formamido]imino}methyl]phenyl furan-2-carboxylate

SMILES

O=C(c1ccco1)Oc1ccc(/C=N/NC(c(cc2)cc3c2OCCO3)=O)cc1

InChI

InChI=1S/C21H16N2O6/c24-20(15-5-8-17-19(12-15)28-11-10-27-17)23-22-13-14-3-6-16(7-4-14)29-21(25)18-2-1-9-26-18/h1-9,12-13H,10-11H2,(H,23,24)

InChI Key

GRESCXMWACMHQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00733196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.249

Distribution Coefficient, logD

2.248

Water Solubility, LogSw

-2.96

Polar Surface Area

80.334

Acid Dissociation Constant (pKa)

10.02

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8002-6692 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 8002-6692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-6692?
Check Price and Availability of 8002-6692, 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 8002-6692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-6692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-6692
  • 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 8002-6692 available by request