8009-6694 Screening compound: ethyl 2-amino-3-{[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoate

8009-6694 Screening compound: ethyl 2-amino-3-{[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoate
8009-6694 Screening compound: ethyl 2-amino-3-{[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-6694
ethyl 2-amino-3-{[1-(4-chlorophenyl)-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

8009-6694

Molecular Formula

C15H17ClN2O4S (C15 H17 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(CSC(CC(N1c(cc2)ccc2Cl)=O)C1=O)N)=O

InChI

InChI=1S/C15H17ClN2O4S/c1-2-22-15(21)11(17)8-23-12-7-13(19)18(14(12)20)10-5-3-9(16)4-6-10/h3-6,11-12H,2,7-8,17H2,1H3

InChI Key

KVROIWLPPJSCGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01819599

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

356.83

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.428

Distribution Coefficient, logD

0.399

Water Solubility, LogSw

-2.32

Polar Surface Area

70.972

Acid Dissociation Constant (pKa)

16.92

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

8009-6694 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-6694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-6694?
Check Price and Availability of 8009-6694, 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 8009-6694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-6694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-6694
  • 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 8009-6694 available by request