Y040-4907 Screening compound: 2-[4-(2-oxo-2H-chromen-3-yl)phenoxy]-N-[(pyridin-3-yl)methyl]acetamide

Y040-4907 Screening compound: 2-[4-(2-oxo-2H-chromen-3-yl)phenoxy]-N-[(pyridin-3-yl)methyl]acetamide
Y040-4907 Screening compound: 2-[4-(2-oxo-2H-chromen-3-yl)phenoxy]-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4907
2-[4-(2-oxo-2H-chromen-3-yl)phenoxy]-N-[(pyridin-3-yl)methyl]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

Y040-4907

Molecular Formula

C23H18N2O4 (C23 H18 N2 O4)

Compound Name

2-[4-(2-oxo-2H-chromen-3-yl)phenoxy]-N-[(pyridin-3-yl)methyl]acetamide

IUPAC name

2-[4-(2-oxo-2H-chromen-3-yl)phenoxy]-N-[(pyridin-3-yl)methyl]acetamide

SMILES

O=C(COc(cc1)ccc1C1=Cc(cccc2)c2OC1=O)NCc1cnccc1

InChI

InChI=1S/C23H18N2O4/c26-22(25-14-16-4-3-11-24-13-16)15-28-19-9-7-17(8-10-19)20-12-18-5-1-2-6-21(18)29-23(20)27/h1-13H,14-15H2,(H,25,26)

InChI Key

HHUOSPNSSCKJBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12204783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.471

Distribution Coefficient, logD

2.469

Water Solubility, LogSw

-2.49

Polar Surface Area

62.105

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

Y040-4907 in Drug Discovery

Included in Screening Libraries

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 Y040-4907 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4907?
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What is the minimum amount of Y040-4907 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4907
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4907
  • 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 Y040-4907 available by request