2248-2906 Screening compound: 6-bromo-1-(4-methoxyanilino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione

2248-2906 Screening compound: 6-bromo-1-(4-methoxyanilino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
2248-2906 Screening compound: 6-bromo-1-(4-methoxyanilino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2248-2906
6-bromo-1-(4-methoxyanilino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-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

2248-2906

Molecular Formula

C24H17BrN2O3 (C24 H17 BrN2 O3)

Compound Name

6-bromo-1-(4-methoxyanilino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione

IUPAC name

10-bromo-16-[(4-methoxyphenyl)amino]-14-methyl-14-azatetracyclo[7.7.1.0^{27}.0^{1317}]heptadeca-1(16)2(7)359(17)1012-heptaene-815-dione

SMILES

CN(c(ccc(Br)c1C(c2c3cccc2)=O)c1C3=C1Nc(cc2)ccc2OC)C1=O

InChI

InChI=1S/C24H17BrN2O3/c1-27-18-12-11-17(25)20-21(18)19(15-5-3-4-6-16(15)23(20)28)22(24(27)29)26-13-7-9-14(30-2)10-8-13/h3-12,26H,1-2H3

InChI Key

QJJNQQYLCQUPPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00997135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.940

Distribution Coefficient, logD

4.885

Water Solubility, LogSw

-4.71

Polar Surface Area

44.829

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

2248-2906 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2248-2906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2248-2906?
Check Price and Availability of 2248-2906, 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 2248-2906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2248-2906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2248-2906
  • 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 2248-2906 available by request