D384-0054 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2-acetamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-yl]butanamide

D384-0054 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2-acetamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-yl]butanamide
D384-0054 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2-acetamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D384-0054
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2-acetamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-yl]butanamide

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

D384-0054

Molecular Formula

C28H26N4O5 (C28 H26 N4 O5)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2-acetamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-yl]butanamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[3-(2-acetamidophenyl)-2-oxo-12-dihydroquinoxalin-1-yl]butanamide

SMILES

CCC(C(Nc(cc1)cc2c1OCCO2)=O)N(c(cccc1)c1N=C1c(cccc2)c2NC(C)=O)C1=O

InChI

InChI=1S/C28H26N4O5/c1-3-22(27(34)30-18-12-13-24-25(16-18)37-15-14-36-24)32-23-11-7-6-10-21(23)31-26(28(32)35)19-8-4-5-9-20(19)29-17(2)33/h4-13,16,22H,3,14-15H2,1-2H3,(H,29,33)(H,30,34)/t22-/m0/s1

InChI Key

KAISRIWCRPYLAT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27582586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.958

Distribution Coefficient, logD

1.958

Water Solubility, LogSw

-2.86

Polar Surface Area

83.854

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

D384-0054 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D384-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D384-0054?
Check Price and Availability of D384-0054, 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 D384-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D384-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D384-0054
  • 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 D384-0054 available by request