C447-0278 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide

C447-0278 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide
C447-0278 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C447-0278
N-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-2-[(pyridin-3-yl)methyl]-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

C447-0278

Molecular Formula

C27H29N3O4 (C27 H29 N3 O4)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-3-oxo-2-[(pyridin-3-yl)methyl]-2,3-dihydro-1H-isoindole-4-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-3-oxo-2-[(pyridin-3-yl)methyl]-23-dihydro-1H-isoindole-4-carboxamide

SMILES

CCOc(ccc(CCNC(c(cccc1CN2Cc3cnccc3)c1C2=O)=O)c1)c1OCC

InChI

InChI=1S/C27H29N3O4/c1-3-33-23-11-10-19(15-24(23)34-4-2)12-14-29-26(31)22-9-5-8-21-18-30(27(32)25(21)22)17-20-7-6-13-28-16-20/h5-11,13,15-16H,3-4,12,14,17-18H2,1-2H3,(H,29,31)

InChI Key

DYFGDJGYELAHRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.303

Distribution Coefficient, logD

2.303

Water Solubility, LogSw

-2.70

Polar Surface Area

65.078

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

2.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

C447-0278 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C447-0278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C447-0278?
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What is the minimum amount of C447-0278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C447-0278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C447-0278
  • 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 C447-0278 available by request