Y040-2899 Screening compound: N-(2-benzoyl-3-methyl-1-benzofuran-6-yl)-2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetamide

Y040-2899 Screening compound: N-(2-benzoyl-3-methyl-1-benzofuran-6-yl)-2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetamide
Y040-2899 Screening compound: N-(2-benzoyl-3-methyl-1-benzofuran-6-yl)-2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2899
N-(2-benzoyl-3-methyl-1-benzofuran-6-yl)-2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetamide

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

Y040-2899

Molecular Formula

C25H18N4O4 (C25 H18 N4 O4)

Compound Name

N-(2-benzoyl-3-methyl-1-benzofuran-6-yl)-2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)acetamide

IUPAC name

N-(2-benzoyl-3-methyl-1-benzofuran-6-yl)-2-(4-oxo-34-dihydro-123-benzotriazin-3-yl)acetamide

SMILES

Cc1c(C(c2ccccc2)=O)oc2c1ccc(NC(CN1N=Nc(cccc3)c3C1=O)=O)c2

InChI

InChI=1S/C25H18N4O4/c1-15-18-12-11-17(13-21(18)33-24(15)23(31)16-7-3-2-4-8-16)26-22(30)14-29-25(32)19-9-5-6-10-20(19)27-28-29/h2-13H,14H2,1H3,(H,26,30)

InChI Key

HNVXRQSTPZQUEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09845386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.812

Distribution Coefficient, logD

4.812

Water Solubility, LogSw

-4.69

Polar Surface Area

86.075

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

Y040-2899 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y040-2899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2899?
Check Price and Availability of Y040-2899, 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 Y040-2899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2899
  • 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 Y040-2899 available by request