C447-1045 Screening compound: 2-cyclohexyl-3-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-isoindole-4-carboxamide

C447-1045 Screening compound: 2-cyclohexyl-3-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-isoindole-4-carboxamide
C447-1045 Screening compound: 2-cyclohexyl-3-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-isoindole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-1045
2-cyclohexyl-3-oxo-N-(2-phenylethyl)-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

C447-1045

Molecular Formula

C23H26N2O2 (C23 H26 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1CN2C3CCCCC3)c1C2=O)NCCc1ccccc1

InChI

InChI=1S/C23H26N2O2/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/h1,3-4,7-10,13,19H,2,5-6,11-12,14-16H2,(H,24,26)

InChI Key

YWTCSOXUDYRUGC-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.47

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

4.091

Distribution Coefficient, logD

4.091

Water Solubility, LogSw

-4.40

Polar Surface Area

40.527

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with C447-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-1045?
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What is the minimum amount of C447-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-1045
  • 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 C447-1045 available by request