Y040-7503 Screening compound: 3-(4-fluorobenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one

Y040-7503 Screening compound: 3-(4-fluorobenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one
Y040-7503 Screening compound: 3-(4-fluorobenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7503
3-(4-fluorobenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-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

Y040-7503

Molecular Formula

C23H22FNO3 (C23 H22 FNO3)

Compound Name

3-(4-fluorobenzyl)-3,4,8,9,10,11-hexahydro-2H-cyclohepta[3,4]chromeno[8,7-e][1,3]oxazin-6(7H)-one

IUPAC name

14-[(4-fluorophenyl)methyl]-1016-dioxa-14-azatetracyclo[9.8.0.0^{28}.0^{1217}]nonadeca-1(19)2(8)1117-tetraen-9-one

SMILES

O=C1Oc(c2c(cc3)OCN(Cc(cc4)ccc4F)C2)c3C2=C1CCCCC2

InChI

InChI=1S/C23H22FNO3/c24-16-8-6-15(7-9-16)12-25-13-20-21(27-14-25)11-10-18-17-4-2-1-3-5-19(17)23(26)28-22(18)20/h6-11H,1-5,12-14H2

InChI Key

LUCYOXFYXGQPIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04161504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.43

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

5.125

Distribution Coefficient, logD

5.047

Water Solubility, LogSw

-5.17

Polar Surface Area

33.680

Acid Dissociation Constant (pKa)

26.67

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

Y040-7503 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y040-7503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7503?
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What is the minimum amount of Y040-7503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7503
  • 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 Y040-7503 available by request