Y041-1750 Screening compound: 8-methyl-11-(4-methylbenzyl)-2,3,4,5,11,12-hexahydro-10H-cyclohepta[3,4]chromeno[6,7-e][1,3]oxazin-6(1H)-one

Y041-1750 Screening compound: 8-methyl-11-(4-methylbenzyl)-2,3,4,5,11,12-hexahydro-10H-cyclohepta[3,4]chromeno[6,7-e][1,3]oxazin-6(1H)-one
Y041-1750 Screening compound: 8-methyl-11-(4-methylbenzyl)-2,3,4,5,11,12-hexahydro-10H-cyclohepta[3,4]chromeno[6,7-e][1,3]oxazin-6(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1750
8-methyl-11-(4-methylbenzyl)-2,3,4,5,11,12-hexahydro-10H-cyclohepta[3,4]chromeno[6,7-e][1,3]oxazin-6(1H)-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

Y041-1750

Molecular Formula

C25H27NO3 (C25 H27 NO3)

Compound Name

8-methyl-11-(4-methylbenzyl)-2,3,4,5,11,12-hexahydro-10H-cyclohepta[3,4]chromeno[6,7-e][1,3]oxazin-6(1H)-one

IUPAC name

12-methyl-16-[(4-methylphenyl)methyl]-1014-dioxa-16-azatetracyclo[9.8.0.0^{28}.0^{1318}]nonadeca-1(19)2(8)1113(18)-tetraen-9-one

SMILES

Cc1ccc(CN(Cc2c3)COc2c(C)c(O2)c3C(CCCCC3)=C3C2=O)cc1

InChI

InChI=1S/C25H27NO3/c1-16-8-10-18(11-9-16)13-26-14-19-12-22-20-6-4-3-5-7-21(20)25(27)29-24(22)17(2)23(19)28-15-26/h8-12H,3-7,13-15H2,1-2H3

InChI Key

OSGCZBRGIUKTSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04144245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.49

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

5.983

Distribution Coefficient, logD

4.641

Water Solubility, LogSw

-5.37

Polar Surface Area

33.365

Acid Dissociation Constant (pKa)

26.74

Base Dissociation Constant (pKb)

8.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y041-1750 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y041-1750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1750?
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What is the minimum amount of Y041-1750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1750
  • 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 Y041-1750 available by request