D384-0067 Screening compound: methyl 4-{2-[3-(2-acetamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-yl]butanamido}benzoate

D384-0067 Screening compound: methyl 4-{2-[3-(2-acetamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-yl]butanamido}benzoate
D384-0067 Screening compound: methyl 4-{2-[3-(2-acetamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-yl]butanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D384-0067
methyl 4-{2-[3-(2-acetamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-yl]butanamido}benzoate

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

D384-0067

Molecular Formula

C28H26N4O5 (C28 H26 N4 O5)

Compound Name

methyl 4-{2-[3-(2-acetamidophenyl)-2-oxo-1,2-dihydroquinoxalin-1-yl]butanamido}benzoate

IUPAC name

methyl 4-{2-[3-(2-acetamidophenyl)-2-oxo-12-dihydroquinoxalin-1-yl]butanamido}benzoate

SMILES

CCC(C(Nc(cc1)ccc1C(OC)=O)=O)N(c(cccc1)c1N=C1c(cccc2)c2NC(C)=O)C1=O

InChI

InChI=1S/C28H26N4O5/c1-4-23(26(34)30-19-15-13-18(14-16-19)28(36)37-3)32-24-12-8-7-11-22(24)31-25(27(32)35)20-9-5-6-10-21(20)29-17(2)33/h5-16,23H,4H2,1-3H3,(H,29,33)(H,30,34)/t23-/m0/s1

InChI Key

SBRJKZJHAGRBOH-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27582593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.076

Distribution Coefficient, logD

3.076

Water Solubility, LogSw

-3.58

Polar Surface Area

89.204

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

D384-0067 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

PI3K-Targeted Library (17255 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
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 D384-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D384-0067?
Check Price and Availability of D384-0067, 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 D384-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D384-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D384-0067
  • 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 D384-0067 available by request