Y040-3387 Screening compound: 6'-methyl-2',3'-dihydrospiro[cyclohexane-1,8'-cyclopenta[{c}]pyrano[3,2-{g}]chromene]-4',10'(1'{H},9'{H})-dione

Y040-3387 Screening compound: 6'-methyl-2',3'-dihydrospiro[cyclohexane-1,8'-cyclopenta[{c}]pyrano[3,2-{g}]chromene]-4',10'(1'{H},9'{H})-dione
Y040-3387 Screening compound: 6'-methyl-2',3'-dihydrospiro[cyclohexane-1,8'-cyclopenta[{c}]pyrano[3,2-{g}]chromene]-4',10'(1'{H},9'{H})-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3387
6'-methyl-2',3'-dihydrospiro[cyclohexane-1,8'-cyclopenta[{c}]pyrano[3,2-{g}]chromene]-4',10'(1'{H},9'{H})-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

Y040-3387

Molecular Formula

C21H22O4 (C21 H22 O4)

Compound Name

6'-methyl-2',3'-dihydrospiro[cyclohexane-1,8'-cyclopenta[{c}]pyrano[3,2-{g}]chromene]-4',10'(1'{H},9'{H})-dione

IUPAC name

2'-methyl-4'17'-dioxaspiro[cyclohexane-15'-tetracyclo[8.7.0.0^{38}.0^{1115}]heptadecane]-1'3'(8')9'11'(15')-tetraene-7'16'-dione

SMILES

Cc(c(O1)c(cc23)C(CCC4)=C4C1=O)c2OC1(CCCCC1)CC3=O

InChI

InChI=1S/C21H22O4/c1-12-18-15(13-6-5-7-14(13)20(23)24-18)10-16-17(22)11-21(25-19(12)16)8-3-2-4-9-21/h10H,2-9,11H2,1H3

InChI Key

WEGHNHDZIDHMIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08745395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.097

Distribution Coefficient, logD

4.097

Water Solubility, LogSw

-4.29

Polar Surface Area

39.799

Acid Dissociation Constant (pKa)

21.36

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

Y040-3387 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y040-3387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3387?
Check Price and Availability of Y040-3387, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y040-3387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3387
  • 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 Y040-3387 available by request