0109-0222 Screening compound: 6-[(2-aminoethyl)amino]-2-(4-chlorophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

0109-0222 Screening compound: 6-[(2-aminoethyl)amino]-2-(4-chlorophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
0109-0222 Screening compound: 6-[(2-aminoethyl)amino]-2-(4-chlorophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0109-0222
6-[(2-aminoethyl)amino]-2-(4-chlorophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

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

0109-0222

Molecular Formula

C20H16ClN3O2 (C20 H16 ClN3 O2)

Compound Name

6-[(2-aminoethyl)amino]-2-(4-chlorophenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

IUPAC name

10-[(2-aminoethyl)amino]-3-(4-chlorophenyl)-3-azatricyclo[7.3.1.0^{513}]trideca-1(13)57911-pentaene-24-dione

SMILES

NCCNc(c1cccc(C(N2c(cc3)ccc3Cl)=O)c11)ccc1C2=O

InChI

InChI=1S/C20H16ClN3O2/c21-12-4-6-13(7-5-12)24-19(25)15-3-1-2-14-17(23-11-10-22)9-8-16(18(14)15)20(24)26/h1-9,23H,10-11,22H2

InChI Key

WHRWZHRGSLNTCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00369597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.717

Distribution Coefficient, logD

0.766

Water Solubility, LogSw

-3.74

Polar Surface Area

59.048

Acid Dissociation Constant (pKa)

18.80

Base Dissociation Constant (pKb)

9.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 0109-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0109-0222?
Check Price and Availability of 0109-0222, 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 0109-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0109-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0109-0222
  • 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 0109-0222 available by request