C429-0189 Screening compound: ethyl 4-(5-{[1-(ethoxycarbonyl)piperidin-4-yl]carbamoyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

C429-0189 Screening compound: ethyl 4-(5-{[1-(ethoxycarbonyl)piperidin-4-yl]carbamoyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate
C429-0189 Screening compound: ethyl 4-(5-{[1-(ethoxycarbonyl)piperidin-4-yl]carbamoyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0189
ethyl 4-(5-{[1-(ethoxycarbonyl)piperidin-4-yl]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

C429-0189

Molecular Formula

C25H32N4O7 (C25 H32 N4 O7)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCC1NC(c(cc1)cc(C(N2C(CC3)CCN3C(OCC)=O)=O)c1C2=O)=O)=O

InChI

InChI=1S/C25H32N4O7/c1-3-35-24(33)27-11-7-17(8-12-27)26-21(30)16-5-6-19-20(15-16)23(32)29(22(19)31)18-9-13-28(14-10-18)25(34)36-4-2/h5-6,15,17-18H,3-4,7-14H2,1-2H3,(H,26,30)

InChI Key

WRNGTJIJLHUODY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.926

Distribution Coefficient, logD

2.926

Water Solubility, LogSw

-3.36

Polar Surface Area

98.412

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

C429-0189 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C429-0189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0189?
Check Price and Availability of C429-0189, 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 C429-0189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0189
  • 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 C429-0189 available by request