Y042-7509 Screening compound: 3-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-phenethylpropanamide

Y042-7509 Screening compound: 3-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-phenethylpropanamide
Y042-7509 Screening compound: 3-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-phenethylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7509
3-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-phenethylpropanamide

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

Y042-7509

Molecular Formula

C28H27N3O5 (C28 H27 N3 O5)

Compound Name

3-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-phenethylpropanamide

IUPAC name

3-{910-dimethoxy-511-dioxo-5H6H6aH11H-isoindolo[21-a]quinazolin-6-yl}-N-(2-phenylethyl)propanamide

SMILES

COc(ccc(C(N1c2c3cccc2)N(CCC(NCCc2ccccc2)=O)C3=O)c2C1=O)c2OC

InChI

InChI=1S/C28H27N3O5/c1-35-22-13-12-20-24(25(22)36-2)28(34)31-21-11-7-6-10-19(21)27(33)30(26(20)31)17-15-23(32)29-16-14-18-8-4-3-5-9-18/h3-13,26H,14-17H2,1-2H3,(H,29,32)/t26-/m1/s1

InChI Key

XDYUFFUJNSAXOX-AREMUKBSSA-N

MDL Number (MFCD)

MFCD28350179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.473

Distribution Coefficient, logD

2.473

Water Solubility, LogSw

-3.02

Polar Surface Area

70.362

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y042-7509 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with Y042-7509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7509?
Check Price and Availability of Y042-7509, 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 Y042-7509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7509
  • 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 Y042-7509 available by request