C429-0080 Screening compound: ethyl 4-{5-[(2-methoxyethyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

C429-0080 Screening compound: ethyl 4-{5-[(2-methoxyethyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate
C429-0080 Screening compound: ethyl 4-{5-[(2-methoxyethyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0080
ethyl 4-{5-[(2-methoxyethyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-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

C429-0080

Molecular Formula

C20H25N3O6 (C20 H25 N3 O6)

Compound Name

ethyl 4-{5-[(2-methoxyethyl)carbamoyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

IUPAC name

ethyl 4-{5-[(2-methoxyethyl)carbamoyl]-13-dioxo-23-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1N(C(c(cc1)c2cc1C(NCCOC)=O)=O)C2=O)=O

InChI

InChI=1S/C20H25N3O6/c1-3-29-20(27)22-9-6-14(7-10-22)23-18(25)15-5-4-13(12-16(15)19(23)26)17(24)21-8-11-28-2/h4-5,12,14H,3,6-11H2,1-2H3,(H,21,24)

InChI Key

GXLCWJANOCRPSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.033

Distribution Coefficient, logD

2.033

Water Solubility, LogSw

-2.85

Polar Surface Area

84.362

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C429-0080 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C429-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0080?
Check Price and Availability of C429-0080, 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 C429-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0080
  • 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 C429-0080 available by request