7287-0688 Screening compound: ethyl 1-{2-methyl-4,9-dioxo-4H,9H-naphtho[2,3-b]furan-3-carbonyl}piperidine-3-carboxylate

7287-0688 Screening compound: ethyl 1-{2-methyl-4,9-dioxo-4H,9H-naphtho[2,3-b]furan-3-carbonyl}piperidine-3-carboxylate
7287-0688 Screening compound: ethyl 1-{2-methyl-4,9-dioxo-4H,9H-naphtho[2,3-b]furan-3-carbonyl}piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7287-0688
ethyl 1-{2-methyl-4,9-dioxo-4H,9H-naphtho[2,3-b]furan-3-carbonyl}piperidine-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

7287-0688

Molecular Formula

C22H21NO6 (C22 H21 NO6)

Compound Name

ethyl 1-{2-methyl-4,9-dioxo-4H,9H-naphtho[2,3-b]furan-3-carbonyl}piperidine-3-carboxylate

IUPAC name

ethyl 1-{2-methyl-49-dioxo-4H9H-naphtho[23-b]furan-3-carbonyl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(c1c(C)oc(C(c2c3cccc2)=O)c1C3=O)=O)=O

InChI

InChI=1S/C22H21NO6/c1-3-28-22(27)13-7-6-10-23(11-13)21(26)16-12(2)29-20-17(16)18(24)14-8-4-5-9-15(14)19(20)25/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3/t13-/m0/s1

InChI Key

IGBBTSBXAQEPCW-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05718574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.044

Distribution Coefficient, logD

3.044

Water Solubility, LogSw

-3.45

Polar Surface Area

71.696

Acid Dissociation Constant (pKa)

22.44

Base Dissociation Constant (pKb)

-6.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

7287-0688 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7287-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7287-0688?
Check Price and Availability of 7287-0688, 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 7287-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7287-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7287-0688
  • 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 7287-0688 available by request