5089-0079 Screening compound: ethyl 2-amino-5-hydroxy-6,11-dioxo-6H,11H-anthra[1,2-b]furan-3-carboxylate

5089-0079 Screening compound: ethyl 2-amino-5-hydroxy-6,11-dioxo-6H,11H-anthra[1,2-b]furan-3-carboxylate
5089-0079 Screening compound: ethyl 2-amino-5-hydroxy-6,11-dioxo-6H,11H-anthra[1,2-b]furan-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5089-0079
ethyl 2-amino-5-hydroxy-6,11-dioxo-6H,11H-anthra[1,2-b]furan-3-carboxylate

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

5089-0079

Molecular Formula

C19H13NO6 (C19 H13 NO6)

Compound Name

ethyl 2-amino-5-hydroxy-6,11-dioxo-6H,11H-anthra[1,2-b]furan-3-carboxylate

IUPAC name

ethyl 2-amino-5-hydroxy-611-dioxo-6H11H-anthra[12-b]furan-3-carboxylate

SMILES

CCOC(c1c(N)oc(c(C(c2c3cccc2)=O)c2C3=O)c1cc2O)=O

InChI

InChI=1S/C19H13NO6/c1-2-25-19(24)12-10-7-11(21)13-14(17(10)26-18(12)20)16(23)9-6-4-3-5-8(9)15(13)22/h3-7,21H,2,20H2,1H3

InChI Key

DKLWZIJITJLNCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01468403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.094

Distribution Coefficient, logD

3.089

Water Solubility, LogSw

-3.19

Polar Surface Area

93.037

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

-0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

5089-0079 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with 5089-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5089-0079?
Check Price and Availability of 5089-0079, 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 5089-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5089-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5089-0079
  • 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 5089-0079 available by request