Y040-6161 Screening compound: N-(2-benzoyl-3-methyl-1-benzofuran-5-yl)-2-pyrazinecarboxamide

Y040-6161 Screening compound: N-(2-benzoyl-3-methyl-1-benzofuran-5-yl)-2-pyrazinecarboxamide
Y040-6161 Screening compound: N-(2-benzoyl-3-methyl-1-benzofuran-5-yl)-2-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6161
N-(2-benzoyl-3-methyl-1-benzofuran-5-yl)-2-pyrazinecarboxamide

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

Y040-6161

Molecular Formula

C21H15N3O3 (C21 H15 N3 O3)

Compound Name

N-(2-benzoyl-3-methyl-1-benzofuran-5-yl)-2-pyrazinecarboxamide

IUPAC name

N-(2-benzoyl-3-methyl-1-benzofuran-5-yl)pyrazine-2-carboxamide

SMILES

Cc1c(C(c2ccccc2)=O)oc(cc2)c1cc2NC(c1nccnc1)=O

InChI

InChI=1S/C21H15N3O3/c1-13-16-11-15(24-21(26)17-12-22-9-10-23-17)7-8-18(16)27-20(13)19(25)14-5-3-2-4-6-14/h2-12H,1H3,(H,24,26)

InChI Key

OVNMOLHEEMLXQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12200103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.576

Distribution Coefficient, logD

3.575

Water Solubility, LogSw

-3.63

Polar Surface Area

63.888

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.76

Y040-6161 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y040-6161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6161?
Check Price and Availability of Y040-6161, 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 Y040-6161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6161
  • 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 Y040-6161 available by request