D395-0097 Screening compound: N-(4-methoxyphenyl)-2-[3-(5-methyl-2-propanamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-yl]butanamide

D395-0097 Screening compound: N-(4-methoxyphenyl)-2-[3-(5-methyl-2-propanamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-yl]butanamide
D395-0097 Screening compound: N-(4-methoxyphenyl)-2-[3-(5-methyl-2-propanamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D395-0097
N-(4-methoxyphenyl)-2-[3-(5-methyl-2-propanamidophenyl)-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

D395-0097

Molecular Formula

C29H30N4O4 (C29 H30 N4 O4)

Compound Name

N-(4-methoxyphenyl)-2-[3-(5-methyl-2-propanamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-yl]butanamide

IUPAC name

N-(4-methoxyphenyl)-2-[3-(5-methyl-2-propanamidophenyl)-2-oxo-12-dihydroquinoxalin-1-yl]butanamide

SMILES

CCC(C(Nc(cc1)ccc1OC)=O)N(c(cccc1)c1N=C1c(cc(C)cc2)c2NC(CC)=O)C1=O

InChI

InChI=1S/C29H30N4O4/c1-5-24(28(35)30-19-12-14-20(37-4)15-13-19)33-25-10-8-7-9-23(25)32-27(29(33)36)21-17-18(3)11-16-22(21)31-26(34)6-2/h7-17,24H,5-6H2,1-4H3,(H,30,35)(H,31,34)/t24-/m0/s1

InChI Key

QSBHCDMPHBFIGF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD27583245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.869

Distribution Coefficient, logD

3.869

Water Solubility, LogSw

-4.04

Polar Surface Area

75.462

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

D395-0097 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D395-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D395-0097?
Check Price and Availability of D395-0097, 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 D395-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D395-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D395-0097
  • 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 D395-0097 available by request