Y040-7495 Screening compound: 12-chloro-3-(4-fluorophenyl)-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one

Y040-7495 Screening compound: 12-chloro-3-(4-fluorophenyl)-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one
Y040-7495 Screening compound: 12-chloro-3-(4-fluorophenyl)-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 Y040-7495
12-chloro-3-(4-fluorophenyl)-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

Y040-7495

Molecular Formula

C21H17ClFNO3 (C21 H17 ClFNO3)

Compound Name

12-chloro-3-(4-fluorophenyl)-3,4,7,8,9,10-hexahydro-2H,6H-benzo[3,4]chromeno[8,7-e][1,3]oxazin-6-one

IUPAC name

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

SMILES

O=C(C(CCCC1)=C1c1c2)Oc1c(CN(CO1)c(cc3)ccc3F)c1c2Cl

InChI

InChI=1S/C21H17ClFNO3/c22-18-9-16-14-3-1-2-4-15(14)21(25)27-19(16)17-10-24(11-26-20(17)18)13-7-5-12(23)6-8-13/h5-9H,1-4,10-11H2

InChI Key

YAUQBAVGRCFSGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04159618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.82

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

5.893

Distribution Coefficient, logD

5.893

Water Solubility, LogSw

-6.22

Polar Surface Area

32.754

Acid Dissociation Constant (pKa)

25.81

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

Y040-7495 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with Y040-7495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7495?
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What is the minimum amount of Y040-7495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7495
  • 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 Y040-7495 available by request