Y040-4887 Screening compound: methyl 2-{6-chloro-9-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-3-yl}acetate

Y040-4887 Screening compound: methyl 2-{6-chloro-9-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-3-yl}acetate
Y040-4887 Screening compound: methyl 2-{6-chloro-9-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4887
methyl 2-{6-chloro-9-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-3-yl}acetate

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

Y040-4887

Molecular Formula

C23H22ClNO6 (C23 H22 ClNO6)

Compound Name

methyl 2-{6-chloro-9-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-2H,8H,9H,10H-chromeno[8,7-e][1,3]oxazin-3-yl}acetate

IUPAC name

methyl 2-{6-chloro-9-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-2H8H9H10H-chromeno[87-e][13]oxazin-3-yl}acetate

SMILES

CC(c1cc(Cl)c2OCN(Cc(cc3)ccc3OC)Cc2c1O1)=C(CC(OC)=O)C1=O

InChI

InChI=1S/C23H22ClNO6/c1-13-16-8-19(24)22-18(21(16)31-23(27)17(13)9-20(26)29-3)11-25(12-30-22)10-14-4-6-15(28-2)7-5-14/h4-8H,9-12H2,1-3H3

InChI Key

HPUFVUHGOMKNFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12203354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.377

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.67

Polar Surface Area

61.236

Acid Dissociation Constant (pKa)

21.25

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

Y040-4887 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 Y040-4887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4887?
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What is the minimum amount of Y040-4887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4887
  • 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 Y040-4887 available by request