C430-5125 Screening compound: N~4~-[2-(1-cyclohexenyl)ethyl]-2-cyclohexyl-3-oxo-4-isoindolinecarboxamide

C430-5125 Screening compound: N~4~-[2-(1-cyclohexenyl)ethyl]-2-cyclohexyl-3-oxo-4-isoindolinecarboxamide
C430-5125 Screening compound: N~4~-[2-(1-cyclohexenyl)ethyl]-2-cyclohexyl-3-oxo-4-isoindolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5125
N~4~-[2-(1-cyclohexenyl)ethyl]-2-cyclohexyl-3-oxo-4-isoindolinecarboxamide

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

C430-5125

Molecular Formula

C23H30N2O2 (C23 H30 N2 O2)

Compound Name

N~4~-[2-(1-cyclohexenyl)ethyl]-2-cyclohexyl-3-oxo-4-isoindolinecarboxamide

IUPAC name

n/a

SMILES

O=C(c(cccc1CN2C3CCCCC3)c1C2=O)NCCC1=CCCCC1

InChI

InChI=1S/C23H30N2O2/c26-22(24-15-14-17-8-3-1-4-9-17)20-13-7-10-18-16-25(23(27)21(18)20)19-11-5-2-6-12-19/h7-8,10,13,19H,1-6,9,11-12,14-16H2,(H,24,26)

InChI Key

YVFDPHSMXAIELJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.462

Distribution Coefficient, logD

4.462

Water Solubility, LogSw

-4.42

Polar Surface Area

40.719

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

C430-5125 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C430-5125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5125?
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What is the minimum amount of C430-5125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5125
  • 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 C430-5125 available by request