Y040-7489 Screening compound: 3-(4-fluorophenyl)-3,4-dihydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one

Y040-7489 Screening compound: 3-(4-fluorophenyl)-3,4-dihydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one
Y040-7489 Screening compound: 3-(4-fluorophenyl)-3,4-dihydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7489
3-(4-fluorophenyl)-3,4-dihydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one

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

Y040-7489

Molecular Formula

C21H14FNO3 (C21 H14 FNO3)

Compound Name

3-(4-fluorophenyl)-3,4-dihydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one

IUPAC name

4-(4-fluorophenyl)-618-dioxa-4-azatetracyclo[8.8.0.0^{27}.0^{1116}]octadeca-17911(16)1214-hexaen-17-one

SMILES

O=C1Oc(c(C2)c(cc3)OCN2c(cc2)ccc2F)c3-c2c1cccc2

InChI

InChI=1S/C21H14FNO3/c22-13-5-7-14(8-6-13)23-11-18-19(25-12-23)10-9-16-15-3-1-2-4-17(15)21(24)26-20(16)18/h1-10H,11-12H2

InChI Key

MLFQAEADHCGSPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02368050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.483

Distribution Coefficient, logD

4.483

Water Solubility, LogSw

-5.35

Polar Surface Area

32.877

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

Y040-7489 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-7489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7489?
Check Price and Availability of Y040-7489, 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 Y040-7489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7489
  • 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 Y040-7489 available by request