Y040-9033 Screening compound: 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid

Y040-9033 Screening compound: 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid
Y040-9033 Screening compound: 3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9033
3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid

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

Y040-9033

Molecular Formula

C25H22O7 (C25 H22 O7)

Compound Name

3-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]propanoic acid

IUPAC name

3-[3-(34-dihydro-2H-15-benzodioxepin-7-yl)-59-dimethyl-7-oxo-7H-furo[32-g]chromen-6-yl]propanoic acid

SMILES

Cc(c(O1)c(cc23)C(C)=C(CCC(O)=O)C1=O)c2occ3-c(cc1)cc2c1OCCCO2

InChI

InChI=1S/C25H22O7/c1-13-16(5-7-22(26)27)25(28)32-24-14(2)23-18(11-17(13)24)19(12-31-23)15-4-6-20-21(10-15)30-9-3-8-29-20/h4,6,10-12H,3,5,7-9H2,1-2H3,(H,26,27)

InChI Key

GVKPXLKKRLVABN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13677054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.881

Distribution Coefficient, logD

1.385

Water Solubility, LogSw

-4.06

Polar Surface Area

74.904

Acid Dissociation Constant (pKa)

4.91

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

Y040-9033 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-9033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9033?
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What is the minimum amount of Y040-9033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9033
  • 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 Y040-9033 available by request