C429-0340 Screening compound: ethyl 4-{1-[(3-chloro-2-methylphenyl)amino]-3-oxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate

C429-0340 Screening compound: ethyl 4-{1-[(3-chloro-2-methylphenyl)amino]-3-oxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate
C429-0340 Screening compound: ethyl 4-{1-[(3-chloro-2-methylphenyl)amino]-3-oxo-2,3-dihydro-1H-isoindol-2-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0340
ethyl 4-{1-[(3-chloro-2-methylphenyl)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

C429-0340

Molecular Formula

C23H26ClN3O3 (C23 H26 ClN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCC1N(C(c1c2cccc1)Nc1cccc(Cl)c1C)C2=O)=O

InChI

InChI=1S/C23H26ClN3O3/c1-3-30-23(29)26-13-11-16(12-14-26)27-21(17-7-4-5-8-18(17)22(27)28)25-20-10-6-9-19(24)15(20)2/h4-10,16,21,25H,3,11-14H2,1-2H3/t21-/m0/s1

InChI Key

NLZHLCUKDGKDOI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14756089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.965

Distribution Coefficient, logD

4.965

Water Solubility, LogSw

-4.89

Polar Surface Area

46.306

Acid Dissociation Constant (pKa)

15.79

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C429-0340 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C429-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0340?
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What is the minimum amount of C429-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0340
  • 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 C429-0340 available by request