6557-0099 Screening compound: (4E)-N,2-bis(2H-1,3-benzodioxol-5-yl)-4H-chromen-4-imine

6557-0099 Screening compound: (4E)-N,2-bis(2H-1,3-benzodioxol-5-yl)-4H-chromen-4-imine
6557-0099 Screening compound: (4E)-N,2-bis(2H-1,3-benzodioxol-5-yl)-4H-chromen-4-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6557-0099
(4E)-N,2-bis(2H-1,3-benzodioxol-5-yl)-4H-chromen-4-imine

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

6557-0099

Molecular Formula

C23H15NO5 (C23 H15 NO5)

Compound Name

(4E)-N,2-bis(2H-1,3-benzodioxol-5-yl)-4H-chromen-4-imine

IUPAC name

(4E)-N2-bis(2H-13-benzodioxol-5-yl)-4H-chromen-4-imine

SMILES

C1Oc(cc(cc2)C(Oc3c4cccc3)=C/C4=N\c(cc3)cc4c3OCO4)c2O1

InChI

InChI=1S/C23H15NO5/c1-2-4-18-16(3-1)17(24-15-6-8-20-23(10-15)28-13-26-20)11-21(29-18)14-5-7-19-22(9-14)27-12-25-19/h1-11H,12-13H2

InChI Key

ZZUWJTHSMFPUOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04145273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.580

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-6.00

Polar Surface Area

50.239

Acid Dissociation Constant (pKa)

38.32

Base Dissociation Constant (pKb)

9.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

6557-0099 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6557-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6557-0099?
Check Price and Availability of 6557-0099, 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 6557-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6557-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6557-0099
  • 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 6557-0099 available by request