C430-5121 Screening compound: N-[(3-chlorophenyl)methyl]-2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

C430-5121 Screening compound: N-[(3-chlorophenyl)methyl]-2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
C430-5121 Screening compound: N-[(3-chlorophenyl)methyl]-2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5121
N-[(3-chlorophenyl)methyl]-2-cyclohexyl-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

C430-5121

Molecular Formula

C22H23ClN2O2 (C22 H23 ClN2 O2)

Compound Name

N-[(3-chlorophenyl)methyl]-2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

IUPAC name

N-[(3-chlorophenyl)methyl]-2-cyclohexyl-3-oxo-23-dihydro-1H-isoindole-4-carboxamide

SMILES

O=C(c(cccc1CN2C3CCCCC3)c1C2=O)NCc1cccc(Cl)c1

InChI

InChI=1S/C22H23ClN2O2/c23-17-8-4-6-15(12-17)13-24-21(26)19-11-5-7-16-14-25(22(27)20(16)19)18-9-2-1-3-10-18/h4-8,11-12,18H,1-3,9-10,13-14H2,(H,24,26)

InChI Key

OLILQQNFQFNLPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.855

Distribution Coefficient, logD

4.855

Water Solubility, LogSw

-5.11

Polar Surface Area

40.685

Acid Dissociation Constant (pKa)

11.64

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C430-5121 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C430-5121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5121?
Check Price and Availability of C430-5121, 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 C430-5121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5121
  • 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 C430-5121 available by request