D395-0004 Screening compound: N-(2-{4-[(3-bromophenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-4-methylphenyl)acetamide

D395-0004 Screening compound: N-(2-{4-[(3-bromophenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-4-methylphenyl)acetamide
D395-0004 Screening compound: N-(2-{4-[(3-bromophenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D395-0004
N-(2-{4-[(3-bromophenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-4-methylphenyl)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

D395-0004

Molecular Formula

C24H20BrN3O2 (C24 H20 BrN3 O2)

Compound Name

N-(2-{4-[(3-bromophenyl)methyl]-3-oxo-3,4-dihydroquinoxalin-2-yl}-4-methylphenyl)acetamide

IUPAC name

N-(2-{4-[(3-bromophenyl)methyl]-3-oxo-34-dihydroquinoxalin-2-yl}-4-methylphenyl)acetamide

SMILES

CC(Nc(ccc(C)c1)c1C1=Nc(cccc2)c2N(Cc2cccc(Br)c2)C1=O)=O

InChI

InChI=1S/C24H20BrN3O2/c1-15-10-11-20(26-16(2)29)19(12-15)23-24(30)28(14-17-6-5-7-18(25)13-17)22-9-4-3-8-21(22)27-23/h3-13H,14H2,1-2H3,(H,26,29)

InChI Key

CNESTORWFZPVOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826176

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.998

Distribution Coefficient, logD

3.998

Water Solubility, LogSw

-4.19

Polar Surface Area

45.742

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D395-0004 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D395-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D395-0004?
Check Price and Availability of D395-0004, 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 D395-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D395-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D395-0004
  • 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 D395-0004 available by request