Y040-8850 Screening compound: N-(2-benzoyl-3-methyl-1-benzofuran-6-yl)-3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamide

Y040-8850 Screening compound: N-(2-benzoyl-3-methyl-1-benzofuran-6-yl)-3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamide
Y040-8850 Screening compound: N-(2-benzoyl-3-methyl-1-benzofuran-6-yl)-3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8850
N-(2-benzoyl-3-methyl-1-benzofuran-6-yl)-3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamide

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

Y040-8850

Molecular Formula

C27H21N3O4 (C27 H21 N3 O4)

Compound Name

N-(2-benzoyl-3-methyl-1-benzofuran-6-yl)-3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamide

IUPAC name

N-(2-benzoyl-3-methyl-1-benzofuran-6-yl)-3-(4-oxo-34-dihydroquinazolin-3-yl)propanamide

SMILES

Cc1c(C(c2ccccc2)=O)oc2c1ccc(NC(CCN(C=Nc1c3cccc1)C3=O)=O)c2

InChI

InChI=1S/C27H21N3O4/c1-17-20-12-11-19(15-23(20)34-26(17)25(32)18-7-3-2-4-8-18)29-24(31)13-14-30-16-28-22-10-6-5-9-21(22)27(30)33/h2-12,15-16H,13-14H2,1H3,(H,29,31)

InChI Key

LMQQKOKWDWRJFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09844889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.156

Distribution Coefficient, logD

4.156

Water Solubility, LogSw

-4.34

Polar Surface Area

71.460

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

Y040-8850 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-8850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8850?
Check Price and Availability of Y040-8850, 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 Y040-8850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8850
  • 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 Y040-8850 available by request