Y040-7456 Screening compound: 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetonitrile

Y040-7456 Screening compound: 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetonitrile
Y040-7456 Screening compound: 2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7456
2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetonitrile

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

Y040-7456

Molecular Formula

C20H17NO3 (C20 H17 NO3)

Compound Name

2-[(3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetonitrile

IUPAC name

2-[(3-benzyl-47-dimethyl-2-oxo-2H-chromen-5-yl)oxy]acetonitrile

SMILES

Cc1cc(OC(C(Cc2ccccc2)=C2C)=O)c2c(OCC#N)c1

InChI

InChI=1S/C20H17NO3/c1-13-10-17(23-9-8-21)19-14(2)16(20(22)24-18(19)11-13)12-15-6-4-3-5-7-15/h3-7,10-11H,9,12H2,1-2H3

InChI Key

MIPHGQNKZGKRKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06763498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.113

Distribution Coefficient, logD

4.113

Water Solubility, LogSw

-4.57

Polar Surface Area

45.885

Acid Dissociation Constant (pKa)

24.95

Base Dissociation Constant (pKb)

-7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

Y040-7456 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-7456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7456?
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What is the minimum amount of Y040-7456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7456
  • 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 Y040-7456 available by request