4514-0873 Screening compound: ethyl 2-amino-3-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoate

4514-0873 Screening compound: ethyl 2-amino-3-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoate
4514-0873 Screening compound: ethyl 2-amino-3-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-0873
ethyl 2-amino-3-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}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

4514-0873

Molecular Formula

C17H22N2O5S (C17 H22 N2 O5 S)

Compound Name

ethyl 2-amino-3-{[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoate

IUPAC name

ethyl 2-amino-3-{[1-(4-ethoxyphenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}propanoate

SMILES

CCOC(C(CSC(CC(N1c(cc2)ccc2OCC)=O)C1=O)N)=O

InChI

InChI=1S/C17H22N2O5S/c1-3-23-12-7-5-11(6-8-12)19-15(20)9-14(16(19)21)25-10-13(18)17(22)24-4-2/h5-8,13-14H,3-4,9-10,18H2,1-2H3

InChI Key

NFDQCRCVSWMOAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02293655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.202

Distribution Coefficient, logD

0.173

Water Solubility, LogSw

-1.87

Polar Surface Area

78.095

Acid Dissociation Constant (pKa)

16.92

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.10

4514-0873 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4514-0873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-0873?
Check Price and Availability of 4514-0873, 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 4514-0873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-0873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-0873
  • 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 4514-0873 available by request