C430-5108 Screening compound: N-(3-chloro-4-fluorophenyl)-2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

C430-5108 Screening compound: N-(3-chloro-4-fluorophenyl)-2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
C430-5108 Screening compound: N-(3-chloro-4-fluorophenyl)-2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5108
N-(3-chloro-4-fluorophenyl)-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

C430-5108

Molecular Formula

C21H20ClFN2O2 (C21 H20 ClFN2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1CN2C3CCCCC3)c1C2=O)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C21H20ClFN2O2/c22-17-11-14(9-10-18(17)23)24-20(26)16-8-4-5-13-12-25(21(27)19(13)16)15-6-2-1-3-7-15/h4-5,8-11,15H,1-3,6-7,12H2,(H,24,26)

InChI Key

CSRQYYXOCGWLOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.924

Distribution Coefficient, logD

4.658

Water Solubility, LogSw

-5.20

Polar Surface Area

39.363

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C430-5108 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 C430-5108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5108?
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What is the minimum amount of C430-5108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5108
  • 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 C430-5108 available by request