C430-5111 Screening compound: 2-cyclohexyl-N-(3-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

C430-5111 Screening compound: 2-cyclohexyl-N-(3-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
C430-5111 Screening compound: 2-cyclohexyl-N-(3-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5111
2-cyclohexyl-N-(3-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

C430-5111

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

2-cyclohexyl-N-(3-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

IUPAC name

2-cyclohexyl-N-(3-methoxyphenyl)-3-oxo-23-dihydro-1H-isoindole-4-carboxamide

SMILES

COc1cccc(NC(c(cccc2CN3C4CCCCC4)c2C3=O)=O)c1

InChI

InChI=1S/C22H24N2O3/c1-27-18-11-6-8-16(13-18)23-21(25)19-12-5-7-15-14-24(22(26)20(15)19)17-9-3-2-4-10-17/h5-8,11-13,17H,2-4,9-10,14H2,1H3,(H,23,25)

InChI Key

ORXHTRSTLSHZDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

4.260

Water Solubility, LogSw

-4.44

Polar Surface Area

46.907

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C430-5111 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 C430-5111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5111?
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What is the minimum amount of C430-5111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5111
  • 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 C430-5111 available by request