C294-0490 Screening compound: N-(2,4-difluorophenyl)-2-(2-methoxyethyl)-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C294-0490 Screening compound: N-(2,4-difluorophenyl)-2-(2-methoxyethyl)-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C294-0490 Screening compound: N-(2,4-difluorophenyl)-2-(2-methoxyethyl)-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C294-0490
N-(2,4-difluorophenyl)-2-(2-methoxyethyl)-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-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

C294-0490

Molecular Formula

C28H25F2N3O3 (C28 H25 F2 N3 O3)

Compound Name

N-(2,4-difluorophenyl)-2-(2-methoxyethyl)-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-(24-difluorophenyl)-2-(2-methoxyethyl)-3-(1-methyl-1H-indol-3-yl)-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

Cn1c(cccc2)c2c(C(C(C(Nc(ccc(F)c2)c2F)=O)c2c3cccc2)N(CCOC)C3=O)c1

InChI

InChI=1S/C28H25F2N3O3/c1-32-16-21(18-7-5-6-10-24(18)32)26-25(27(34)31-23-12-11-17(29)15-22(23)30)19-8-3-4-9-20(19)28(35)33(26)13-14-36-2/h3-12,15-16,25-26H,13-14H2,1-2H3,(H,31,34)

InChI Key

WFLPVIVXZYXJPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.221

Distribution Coefficient, logD

3.910

Water Solubility, LogSw

-4.04

Polar Surface Area

49.196

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-2.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.40

C294-0490 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C294-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C294-0490?
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What is the minimum amount of C294-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C294-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C294-0490
  • 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 C294-0490 available by request