5593-0624 Screening compound: ethyl 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate

5593-0624 Screening compound: ethyl 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
5593-0624 Screening compound: ethyl 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5593-0624
ethyl 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-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

5593-0624

Molecular Formula

C18H21ClN2O4 (C18 H21 ClN2 O4)

Compound Name

ethyl 1-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[1-(4-chlorophenyl)-25-dioxopyrrolidin-3-yl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CC(N1c(cc2)ccc2Cl)=O)C1=O)=O

InChI

InChI=1S/C18H21ClN2O4/c1-2-25-18(24)12-7-9-20(10-8-12)15-11-16(22)21(17(15)23)14-5-3-13(19)4-6-14/h3-6,12,15H,2,7-11H2,1H3/t15-/m1/s1

InChI Key

INADWXYBUDSLDY-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01036316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.83

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.696

Distribution Coefficient, logD

1.695

Water Solubility, LogSw

-2.53

Polar Surface Area

52.742

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

4.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

5593-0624 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5593-0624 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5593-0624?
Check Price and Availability of 5593-0624, 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 5593-0624 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5593-0624
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5593-0624
  • 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 5593-0624 available by request