3344-2921 Screening compound: (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl furan-2-carboxylate

3344-2921 Screening compound: (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl furan-2-carboxylate
3344-2921 Screening compound: (2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3344-2921
(2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl 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

3344-2921

Molecular Formula

C22H15NO5 (C22 H15 NO5)

Compound Name

(2H-1,3-benzodioxol-5-yl)(isoquinolin-1-yl)methyl furan-2-carboxylate

IUPAC name

(2H-13-benzodioxol-5-yl)(isoquinolin-1-yl)methyl furan-2-carboxylate

SMILES

O=C(c1ccco1)OC(c(cc1)cc2c1OCO2)c1nccc2ccccc12

InChI

InChI=1S/C22H15NO5/c24-22(18-6-3-11-25-18)28-21(15-7-8-17-19(12-15)27-13-26-17)20-16-5-2-1-4-14(16)9-10-23-20/h1-12,21H,13H2/t21-/m0/s1

InChI Key

WJEKXBHUOGFVMV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02165304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.509

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-4.41

Polar Surface Area

55.341

Acid Dissociation Constant (pKa)

26.98

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

3344-2921 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3344-2921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3344-2921?
Check Price and Availability of 3344-2921, 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 3344-2921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3344-2921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3344-2921
  • 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 3344-2921 available by request