4275-2004 Screening compound: ethyl 3-{[5-(4-ethoxy-4-oxobutanamido)naphthalen-1-yl]carbamoyl}propanoate

4275-2004 Screening compound: ethyl 3-{[5-(4-ethoxy-4-oxobutanamido)naphthalen-1-yl]carbamoyl}propanoate
4275-2004 Screening compound: ethyl 3-{[5-(4-ethoxy-4-oxobutanamido)naphthalen-1-yl]carbamoyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4275-2004
ethyl 3-{[5-(4-ethoxy-4-oxobutanamido)naphthalen-1-yl]carbamoyl}propanoate

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

4275-2004

Molecular Formula

C22H26N2O6 (C22 H26 N2 O6)

Compound Name

ethyl 3-{[5-(4-ethoxy-4-oxobutanamido)naphthalen-1-yl]carbamoyl}propanoate

IUPAC name

ethyl 3-{[5-(4-ethoxy-4-oxobutanamido)naphthalen-1-yl]carbamoyl}propanoate

SMILES

CCOC(CCC(Nc1c(cccc2NC(CCC(OCC)=O)=O)c2ccc1)=O)=O

InChI

InChI=1S/C22H26N2O6/c1-3-29-21(27)13-11-19(25)23-17-9-5-8-16-15(17)7-6-10-18(16)24-20(26)12-14-22(28)30-4-2/h5-10H,3-4,11-14H2,1-2H3,(H,23,25)(H,24,26)

InChI Key

ZUAFNRKPPDQRFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02655628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.917

Distribution Coefficient, logD

1.917

Water Solubility, LogSw

-2.51

Polar Surface Area

85.187

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

4275-2004 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4275-2004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4275-2004?
Check Price and Availability of 4275-2004, 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 4275-2004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4275-2004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4275-2004
  • 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 4275-2004 available by request