Y040-2279 Screening compound: isopropyl (2S)-2-[6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-3(4H)-yl]-3-phenylpropanoate

Y040-2279 Screening compound: isopropyl (2S)-2-[6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-3(4H)-yl]-3-phenylpropanoate
Y040-2279 Screening compound: isopropyl (2S)-2-[6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-3(4H)-yl]-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2279
isopropyl (2S)-2-[6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-3(4H)-yl]-3-phenylpropanoate

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

Y040-2279

Molecular Formula

C26H27NO5 (C26 H27 NO5)

Compound Name

isopropyl (2S)-2-[6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[3,4]chromeno[8,7-e][1,3]oxazin-3(4H)-yl]-3-phenylpropanoate

IUPAC name

propan-2-yl (2S)-2-{16-oxo-617-dioxa-4-azatetracyclo[8.7.0.0^{27}.0^{1115}]heptadeca-17911(15)-tetraen-4-yl}-3-phenylpropanoate

SMILES

CC(C)OC(C(Cc1ccccc1)N(C1)COc(cc2)c1c(O1)c2C(CCC2)=C2C1=O)=O

InChI

InChI=1S/C26H27NO5/c1-16(2)31-26(29)22(13-17-7-4-3-5-8-17)27-14-21-23(30-15-27)12-11-19-18-9-6-10-20(18)25(28)32-24(19)21/h3-5,7-8,11-12,16,22H,6,9-10,13-15H2,1-2H3/t22-/m0/s1

InChI Key

IHCPBFYGCWDTAF-QFIPXVFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.925

Distribution Coefficient, logD

4.924

Water Solubility, LogSw

-4.69

Polar Surface Area

53.405

Acid Dissociation Constant (pKa)

19.94

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

Y040-2279 in Drug Discovery

Included in Screening Libraries

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

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y040-2279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2279?
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What is the minimum amount of Y040-2279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2279
  • 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 Y040-2279 available by request