Y040-5377 Screening compound: N-(2H-1,3-BENZODIOXOL-5-YL)-3-PHENYL-2-[(PYRIDIN-3-YL)FORMAMIDO]PROPANAMIDE

Y040-5377 Screening compound: N-(2H-1,3-BENZODIOXOL-5-YL)-3-PHENYL-2-[(PYRIDIN-3-YL)FORMAMIDO]PROPANAMIDE
Y040-5377 Screening compound: N-(2H-1,3-BENZODIOXOL-5-YL)-3-PHENYL-2-[(PYRIDIN-3-YL)FORMAMIDO]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5377
N-(2H-1,3-BENZODIOXOL-5-YL)-3-PHENYL-2-[(PYRIDIN-3-YL)FORMAMIDO]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

Y040-5377

Molecular Formula

C22H19N3O4 (C22 H19 N3 O4)

Compound Name

N-(2H-1,3-BENZODIOXOL-5-YL)-3-PHENYL-2-[(PYRIDIN-3-YL)FORMAMIDO]PROPANAMIDE

IUPAC name

(2S)-N-(2H-13-benzodioxol-5-yl)-3-phenyl-2-[(pyridin-3-yl)formamido]propanamide

SMILES

O=C(C(Cc1ccccc1)NC(c1cnccc1)=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C22H19N3O4/c26-21(16-7-4-10-23-13-16)25-18(11-15-5-2-1-3-6-15)22(27)24-17-8-9-19-20(12-17)29-14-28-19/h1-10,12-13,18H,11,14H2,(H,24,27)(H,25,26)/t18-/m0/s1

InChI Key

GEDKVCCYJOHXLK-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.588

Distribution Coefficient, logD

2.587

Water Solubility, LogSw

-2.99

Polar Surface Area

74.007

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

Y040-5377 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Endocrine
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y040-5377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5377?
Check Price and Availability of Y040-5377, 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 Y040-5377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5377
  • 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 Y040-5377 available by request