5661-0200 Screening compound: diallyl 2,6-diamino-4-(4-fluorophenyl)furo[2,3-f][1]benzofuran-3,7-dicarboxylate

5661-0200 Screening compound: diallyl 2,6-diamino-4-(4-fluorophenyl)furo[2,3-f][1]benzofuran-3,7-dicarboxylate
5661-0200 Screening compound: diallyl 2,6-diamino-4-(4-fluorophenyl)furo[2,3-f][1]benzofuran-3,7-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5661-0200
diallyl 2,6-diamino-4-(4-fluorophenyl)furo[2,3-f][1]benzofuran-3,7-dicarboxylate

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

5661-0200

Molecular Formula

C24H19FN2O6 (C24 H19 FN2 O6)

Compound Name

diallyl 2,6-diamino-4-(4-fluorophenyl)furo[2,3-f][1]benzofuran-3,7-dicarboxylate

IUPAC name

612-bis(prop-2-en-1-yl) 511-diamino-8-(4-fluorophenyl)-410-dioxatricyclo[7.3.0.0^{37}]dodeca-13(7)5811-pentaene-612-dicarboxylate

SMILES

C=CCOC(c(c1cc2c3c(C(OCC=C)=O)c(N)o2)c(N)oc1c3-c(cc1)ccc1F)=O

InChI

InChI=1S/C24H19FN2O6/c1-3-9-30-23(28)17-14-11-15-18(19(22(27)32-15)24(29)31-10-4-2)16(20(14)33-21(17)26)12-5-7-13(25)8-6-12/h3-8,11H,1-2,9-10,26-27H2

InChI Key

SYIMMUCDEIIDLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02608969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.598

Distribution Coefficient, logD

3.598

Water Solubility, LogSw

-4.31

Polar Surface Area

100.939

Acid Dissociation Constant (pKa)

18.51

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

5661-0200 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5661-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5661-0200?
Check Price and Availability of 5661-0200, 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 5661-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5661-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5661-0200
  • 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 5661-0200 available by request