Y041-3717 Screening compound: 1,3-dihydroxy-12H-5-oxatetracen-12-one

Y041-3717 Screening compound: 1,3-dihydroxy-12H-5-oxatetracen-12-one
Y041-3717 Screening compound: 1,3-dihydroxy-12H-5-oxatetracen-12-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3717
1,3-dihydroxy-12H-5-oxatetracen-12-one

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

Y041-3717

Molecular Formula

C17H10O4 (C17 H10 O4)

Compound Name

1,3-dihydroxy-12H-5-oxatetracen-12-one

IUPAC name

13-dihydroxy-12H-5-oxatetracen-12-one

SMILES

Oc(cc1O)cc(Oc2cc3ccccc3cc22)c1C2=O

InChI

InChI=1S/C17H10O4/c18-11-7-13(19)16-15(8-11)21-14-6-10-4-2-1-3-9(10)5-12(14)17(16)20/h1-8,18-19H

InChI Key

MSAPVEXKCXYFIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13969025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.088

Distribution Coefficient, logD

2.568

Water Solubility, LogSw

-4.59

Polar Surface Area

54.092

Acid Dissociation Constant (pKa)

5.89

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

Y041-3717 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-3717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3717?
Check Price and Availability of Y041-3717, 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 Y041-3717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3717
  • 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 Y041-3717 available by request