Y040-1662 Screening compound: 3-benzyl-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one

Y040-1662 Screening compound: 3-benzyl-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one
Y040-1662 Screening compound: 3-benzyl-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1662
3-benzyl-3,4,7,8,9,10-hexahydro-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

Y040-1662

Molecular Formula

C22H21NO3 (C22 H21 NO3)

Compound Name

3-benzyl-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one

IUPAC name

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

SMILES

O=C1Oc(c2c(cc3)OCN(Cc4ccccc4)C2)c3C2=C1CCCC2

InChI

InChI=1S/C22H21NO3/c24-22-18-9-5-4-8-16(18)17-10-11-20-19(21(17)26-22)13-23(14-25-20)12-15-6-2-1-3-7-15/h1-3,6-7,10-11H,4-5,8-9,12-14H2

InChI Key

JUJZAJOOKRHRSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05680238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.600

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.66

Polar Surface Area

33.349

Acid Dissociation Constant (pKa)

26.74

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

Y040-1662 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-1662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1662?
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What is the minimum amount of Y040-1662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1662
  • 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 Y040-1662 available by request