C447-1351 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

C447-1351 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
C447-1351 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-1351
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

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

C447-1351

Molecular Formula

C24H26N2O3 (C24 H26 N2 O3)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(4-methoxyphenyl)-3-oxo-23-dihydro-1H-isoindole-4-carboxamide

SMILES

COc(cc1)ccc1N(Cc1cccc(C(NCCC2=CCCCC2)=O)c11)C1=O

InChI

InChI=1S/C24H26N2O3/c1-29-20-12-10-19(11-13-20)26-16-18-8-5-9-21(22(18)24(26)28)23(27)25-15-14-17-6-3-2-4-7-17/h5-6,8-13H,2-4,7,14-16H2,1H3,(H,25,27)

InChI Key

SIHVABVWWOZWLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.164

Distribution Coefficient, logD

4.164

Water Solubility, LogSw

-4.33

Polar Surface Area

48.430

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C447-1351 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C447-1351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-1351?
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What is the minimum amount of C447-1351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-1351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-1351
  • 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 C447-1351 available by request