C429-0186 Screening compound: ethyl 4-(5-{[(2-methoxyphenyl)methyl]carbamoyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

C429-0186 Screening compound: ethyl 4-(5-{[(2-methoxyphenyl)methyl]carbamoyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate
C429-0186 Screening compound: ethyl 4-(5-{[(2-methoxyphenyl)methyl]carbamoyl}-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0186
ethyl 4-(5-{[(2-methoxyphenyl)methyl]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

C429-0186

Molecular Formula

C25H27N3O6 (C25 H27 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCC1N(C(c(cc1)c2cc1C(NCc(cccc1)c1OC)=O)=O)C2=O)=O

InChI

InChI=1S/C25H27N3O6/c1-3-34-25(32)27-12-10-18(11-13-27)28-23(30)19-9-8-16(14-20(19)24(28)31)22(29)26-15-17-6-4-5-7-21(17)33-2/h4-9,14,18H,3,10-13,15H2,1-2H3,(H,26,29)

InChI Key

KFUDDQILAWCFGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.51

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

3.761

Distribution Coefficient, logD

3.761

Water Solubility, LogSw

-4.00

Polar Surface Area

83.537

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C429-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0186?
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What is the minimum amount of C429-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0186
  • 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 C429-0186 available by request