C429-0344 Screening compound: ethyl 4-(1-oxo-3-{[3-(trifluoromethyl)phenyl]amino}-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate

C429-0344 Screening compound: ethyl 4-(1-oxo-3-{[3-(trifluoromethyl)phenyl]amino}-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate
C429-0344 Screening compound: ethyl 4-(1-oxo-3-{[3-(trifluoromethyl)phenyl]amino}-2,3-dihydro-1H-isoindol-2-yl)piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0344
ethyl 4-(1-oxo-3-{[3-(trifluoromethyl)phenyl]amino}-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

C429-0344

Molecular Formula

C23H24F3N3O3 (C23 H24 F3 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(N(CC1)CCC1N(C(c1c2cccc1)Nc1cccc(C(F)(F)F)c1)C2=O)=O

InChI

InChI=1S/C23H24F3N3O3/c1-2-32-22(31)28-12-10-17(11-13-28)29-20(18-8-3-4-9-19(18)21(29)30)27-16-7-5-6-15(14-16)23(24,25)26/h3-9,14,17,20,27H,2,10-13H2,1H3/t20-/m0/s1

InChI Key

HUAVYNVKGMFIGV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14756092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.853

Distribution Coefficient, logD

4.853

Water Solubility, LogSw

-4.52

Polar Surface Area

47.004

Acid Dissociation Constant (pKa)

15.50

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

C429-0344 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C429-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0344?
Check Price and Availability of C429-0344, 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 C429-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0344
  • 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 C429-0344 available by request