Y040-3391 Screening compound: 11-methoxy-2,2-dimethyl-2,3,7,8,9,10-hexahydro-4H,6H-benzo[c]pyrano[2,3-h]chromene-4,6-dione

Y040-3391 Screening compound: 11-methoxy-2,2-dimethyl-2,3,7,8,9,10-hexahydro-4H,6H-benzo[c]pyrano[2,3-h]chromene-4,6-dione
Y040-3391 Screening compound: 11-methoxy-2,2-dimethyl-2,3,7,8,9,10-hexahydro-4H,6H-benzo[c]pyrano[2,3-h]chromene-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3391
11-methoxy-2,2-dimethyl-2,3,7,8,9,10-hexahydro-4H,6H-benzo[c]pyrano[2,3-h]chromene-4,6-dione

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

Y040-3391

Molecular Formula

C19H20O5 (C19 H20 O5)

Compound Name

11-methoxy-2,2-dimethyl-2,3,7,8,9,10-hexahydro-4H,6H-benzo[c]pyrano[2,3-h]chromene-4,6-dione

IUPAC name

9-methoxy-55-dimethyl-618-dioxatetracyclo[8.8.0.0^{27}.0^{1116}]octadeca-17911(16)-tetraene-317-dione

SMILES

CC(C)(C1)Oc2cc(OC)c(C(CCCC3)=C3C(O3)=O)c3c2C1=O

InChI

InChI=1S/C19H20O5/c1-19(2)9-12(20)16-14(24-19)8-13(22-3)15-10-6-4-5-7-11(10)18(21)23-17(15)16/h8H,4-7,9H2,1-3H3

InChI Key

JDIHSVZPBHAIOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06495333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.452

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-3.85

Polar Surface Area

47.976

Acid Dissociation Constant (pKa)

21.63

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

Y040-3391 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-3391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3391?
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What is the minimum amount of Y040-3391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3391
  • 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 Y040-3391 available by request