C430-5134 Screening compound: ethyl 2-(2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-amido)benzoate

C430-5134 Screening compound: ethyl 2-(2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-amido)benzoate
C430-5134 Screening compound: ethyl 2-(2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5134
ethyl 2-(2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-amido)benzoate

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

C430-5134

Molecular Formula

C24H26N2O4 (C24 H26 N2 O4)

Compound Name

ethyl 2-(2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-amido)benzoate

IUPAC name

ethyl 2-(2-cyclohexyl-3-oxo-23-dihydro-1H-isoindole-4-amido)benzoate

SMILES

CCOC(c(cccc1)c1NC(c(cccc1CN2C3CCCCC3)c1C2=O)=O)=O

InChI

InChI=1S/C24H26N2O4/c1-2-30-24(29)18-12-6-7-14-20(18)25-22(27)19-13-8-9-16-15-26(23(28)21(16)19)17-10-4-3-5-11-17/h6-9,12-14,17H,2-5,10-11,15H2,1H3,(H,25,27)

InChI Key

NNWIPQFNHVDDSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.660

Distribution Coefficient, logD

4.274

Water Solubility, LogSw

-4.40

Polar Surface Area

59.419

Acid Dissociation Constant (pKa)

7.24

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C430-5134 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 C430-5134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5134?
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What is the minimum amount of C430-5134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5134
  • 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 C430-5134 available by request