C429-0203 Screening compound: ethyl 4-(5-{[4-(diethylsulfamoyl)phenyl]carbamoyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

C429-0203 Screening compound: ethyl 4-(5-{[4-(diethylsulfamoyl)phenyl]carbamoyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate
C429-0203 Screening compound: ethyl 4-(5-{[4-(diethylsulfamoyl)phenyl]carbamoyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0203
ethyl 4-(5-{[4-(diethylsulfamoyl)phenyl]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

C429-0203

Molecular Formula

C27H32N4O7S (C27 H32 N4 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)S(c(cc1)ccc1NC(c(cc1)cc(C(N2C(CC3)CCN3C(OCC)=O)=O)c1C2=O)=O)(=O)=O

InChI

InChI=1S/C27H32N4O7S/c1-4-30(5-2)39(36,37)21-10-8-19(9-11-21)28-24(32)18-7-12-22-23(17-18)26(34)31(25(22)33)20-13-15-29(16-14-20)27(35)38-6-3/h7-12,17,20H,4-6,13-16H2,1-3H3,(H,28,32)

InChI Key

IGYCRBVJMMNXLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.64

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.798

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-4.01

Polar Surface Area

105.681

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C429-0203 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C429-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0203?
Check Price and Availability of C429-0203, 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 C429-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0203
  • 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 C429-0203 available by request