C430-5146 Screening compound: 2-cyclohexyl-3-oxo-N-(2,3,4,5,6-pentafluorophenyl)-2,3-dihydro-1H-isoindole-4-carboxamide

C430-5146 Screening compound: 2-cyclohexyl-3-oxo-N-(2,3,4,5,6-pentafluorophenyl)-2,3-dihydro-1H-isoindole-4-carboxamide
C430-5146 Screening compound: 2-cyclohexyl-3-oxo-N-(2,3,4,5,6-pentafluorophenyl)-2,3-dihydro-1H-isoindole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5146
2-cyclohexyl-3-oxo-N-(2,3,4,5,6-pentafluorophenyl)-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

C430-5146

Molecular Formula

C21H17F5N2O2 (C21 H17 F5 N2 O2)

Compound Name

2-cyclohexyl-3-oxo-N-(2,3,4,5,6-pentafluorophenyl)-2,3-dihydro-1H-isoindole-4-carboxamide

IUPAC name

2-cyclohexyl-3-oxo-N-(23456-pentafluorophenyl)-23-dihydro-1H-isoindole-4-carboxamide

SMILES

O=C(c(cccc1CN2C3CCCCC3)c1C2=O)Nc(c(F)c(c(F)c1F)F)c1F

InChI

InChI=1S/C21H17F5N2O2/c22-14-15(23)17(25)19(18(26)16(14)24)27-20(29)12-8-4-5-10-9-28(21(30)13(10)12)11-6-2-1-3-7-11/h4-5,8,11H,1-3,6-7,9H2,(H,27,29)

InChI Key

AQRURWXUTNVREK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.37

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

4.483

Distribution Coefficient, logD

-1.092

Water Solubility, LogSw

-4.52

Polar Surface Area

37.968

Acid Dissociation Constant (pKa)

1.82

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C430-5146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5146?
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What is the minimum amount of C430-5146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5146
  • 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 C430-5146 available by request