3651-6116 Screening compound: N-(3-bromo-4-nitrophenyl)-2-(9-oxo-9,10-dihydroacridin-10-yl)acetamide

3651-6116 Screening compound: N-(3-bromo-4-nitrophenyl)-2-(9-oxo-9,10-dihydroacridin-10-yl)acetamide
3651-6116 Screening compound: N-(3-bromo-4-nitrophenyl)-2-(9-oxo-9,10-dihydroacridin-10-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3651-6116
N-(3-bromo-4-nitrophenyl)-2-(9-oxo-9,10-dihydroacridin-10-yl)acetamide

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

3651-6116

Molecular Formula

C21H14BrN3O4 (C21 H14 BrN3 O4)

Compound Name

N-(3-bromo-4-nitrophenyl)-2-(9-oxo-9,10-dihydroacridin-10-yl)acetamide

IUPAC name

N-(3-bromo-4-nitrophenyl)-2-(9-oxo-910-dihydroacridin-10-yl)acetamide

SMILES

[O-][N+](c(ccc(NC(CN(c1c2cccc1)c(cccc1)c1C2=O)=O)c1)c1Br)=O

InChI

InChI=1S/C21H14BrN3O4/c22-16-11-13(9-10-19(16)25(28)29)23-20(26)12-24-17-7-3-1-5-14(17)21(27)15-6-2-4-8-18(15)24/h1-11H,12H2,(H,23,26)

InChI Key

BEUMHGXCXMWCHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.346

Distribution Coefficient, logD

4.173

Water Solubility, LogSw

-4.53

Polar Surface Area

70.662

Acid Dissociation Constant (pKa)

7.71

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

3651-6116 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3651-6116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3651-6116?
Check Price and Availability of 3651-6116, 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 3651-6116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3651-6116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3651-6116
  • 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 3651-6116 available by request