Y042-7513 Screening compound: 3-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-isobutylpropanamide

Y042-7513 Screening compound: 3-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-isobutylpropanamide
Y042-7513 Screening compound: 3-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-isobutylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7513
3-[9,10-dimethoxy-5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl]-N~1~-isobutylpropanamide

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

Y042-7513

Molecular Formula

C24H27N3O5 (C24 H27 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CNC(CCN(C(c(cc1)c(C2=O)c(OC)c1OC)N2c1c2cccc1)C2=O)=O

InChI

InChI=1S/C24H27N3O5/c1-14(2)13-25-19(28)11-12-26-22-16-9-10-18(31-3)21(32-4)20(16)24(30)27(22)17-8-6-5-7-15(17)23(26)29/h5-10,14,22H,11-13H2,1-4H3,(H,25,28)/t22-/m1/s1

InChI Key

MNFSZUWBGZPGSM-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD28349076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.188

Distribution Coefficient, logD

2.188

Water Solubility, LogSw

-2.89

Polar Surface Area

70.792

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

Y042-7513 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 Y042-7513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7513?
Check Price and Availability of Y042-7513, 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 Y042-7513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7513
  • 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 Y042-7513 available by request