C429-0347 Screening compound: ethyl 4-{1-[(3-methoxyphenyl)amino]-3-oxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

C429-0347 Screening compound: ethyl 4-{1-[(3-methoxyphenyl)amino]-3-oxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate
C429-0347 Screening compound: ethyl 4-{1-[(3-methoxyphenyl)amino]-3-oxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0347
ethyl 4-{1-[(3-methoxyphenyl)amino]-3-oxo-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

C429-0347

Molecular Formula

C23H27N3O4 (C23 H27 N3 O4)

Compound Name

ethyl 4-{1-[(3-methoxyphenyl)amino]-3-oxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

IUPAC name

ethyl 4-{1-[(3-methoxyphenyl)amino]-3-oxo-23-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1N(C(c1c2cccc1)Nc1cc(OC)ccc1)C2=O)=O

InChI

InChI=1S/C23H27N3O4/c1-3-30-23(28)25-13-11-17(12-14-25)26-21(19-9-4-5-10-20(19)22(26)27)24-16-7-6-8-18(15-16)29-2/h4-10,15,17,21,24H,3,11-14H2,1-2H3/t21-/m1/s1

InChI Key

SPJOYUOPDIJDHD-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14756095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.876

Distribution Coefficient, logD

3.876

Water Solubility, LogSw

-3.91

Polar Surface Area

54.547

Acid Dissociation Constant (pKa)

16.93

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C429-0347 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C429-0347 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0347?
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What is the minimum amount of C429-0347 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0347
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0347
  • 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 C429-0347 available by request