6557-0102 Screening compound: N1-[(4E)-2-(2H-1,3-benzodioxol-5-yl)-4H-chromen-4-ylidene]benzene-1,2-diamine

6557-0102 Screening compound: N1-[(4E)-2-(2H-1,3-benzodioxol-5-yl)-4H-chromen-4-ylidene]benzene-1,2-diamine
6557-0102 Screening compound: N1-[(4E)-2-(2H-1,3-benzodioxol-5-yl)-4H-chromen-4-ylidene]benzene-1,2-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6557-0102
N1-[(4E)-2-(2H-1,3-benzodioxol-5-yl)-4H-chromen-4-ylidene]benzene-1,2-diamine

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

6557-0102

Molecular Formula

C22H16N2O3 (C22 H16 N2 O3)

Compound Name

N1-[(4E)-2-(2H-1,3-benzodioxol-5-yl)-4H-chromen-4-ylidene]benzene-1,2-diamine

IUPAC name

N1-[(4E)-2-(2H-13-benzodioxol-5-yl)-4H-chromen-4-ylidene]benzene-12-diamine

SMILES

Nc(cccc1)c1/N=C1/c(cccc2)c2OC(c(cc2)cc3c2OCO3)=C1

InChI

InChI=1S/C22H16N2O3/c23-16-6-2-3-7-17(16)24-18-12-21(27-19-8-4-1-5-15(18)19)14-9-10-20-22(11-14)26-13-25-20/h1-12H,13,23H2

InChI Key

NJECYTXSGVBINM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04146625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.962

Distribution Coefficient, logD

4.660

Water Solubility, LogSw

-4.88

Polar Surface Area

52.522

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 6557-0102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6557-0102?
Check Price and Availability of 6557-0102, 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 6557-0102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6557-0102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6557-0102
  • 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 6557-0102 available by request