8018-0194 Screening compound: 4-[4-(benzyloxy)-3-methoxyphenyl]-2H,3H,4H,5H,10H-naphtho[2,3-b]pyran-2,5,10-trione

8018-0194 Screening compound: 4-[4-(benzyloxy)-3-methoxyphenyl]-2H,3H,4H,5H,10H-naphtho[2,3-b]pyran-2,5,10-trione
8018-0194 Screening compound: 4-[4-(benzyloxy)-3-methoxyphenyl]-2H,3H,4H,5H,10H-naphtho[2,3-b]pyran-2,5,10-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0194
4-[4-(benzyloxy)-3-methoxyphenyl]-2H,3H,4H,5H,10H-naphtho[2,3-b]pyran-2,5,10-trione

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

8018-0194

Molecular Formula

C27H20O6 (C27 H20 O6)

Compound Name

4-[4-(benzyloxy)-3-methoxyphenyl]-2H,3H,4H,5H,10H-naphtho[2,3-b]pyran-2,5,10-trione

IUPAC name

4-[4-(benzyloxy)-3-methoxyphenyl]-2H3H4H5H10H-naphtho[23-b]pyran-2510-trione

SMILES

COc(cc(C(C1)C(C(c(cccc2)c2C2=O)=O)=C2OC1=O)cc1)c1OCc1ccccc1

InChI

InChI=1S/C27H20O6/c1-31-22-13-17(11-12-21(22)32-15-16-7-3-2-4-8-16)20-14-23(28)33-27-24(20)25(29)18-9-5-6-10-19(18)26(27)30/h2-13,20H,14-15H2,1H3/t20-/m1/s1

InChI Key

SIDVVSVYIRWELL-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD07021930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.120

Water Solubility, LogSw

-4.75

Polar Surface Area

62.017

Acid Dissociation Constant (pKa)

18.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

8018-0194 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0194?
Check Price and Availability of 8018-0194, 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 8018-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0194
  • 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 8018-0194 available by request