C294-0260 Screening compound: N-(2-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C294-0260 Screening compound: N-(2-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C294-0260 Screening compound: N-(2-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C294-0260
N-(2-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-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

C294-0260

Molecular Formula

C27H23ClFN3O3 (C27 H23 ClFN3 O3)

Compound Name

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

IUPAC name

N-(2-chloro-4-fluorophenyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

COCCN(C(C(C(Nc(ccc(F)c1)c1Cl)=O)c1c2cccc1)c1c[nH]c3c1cccc3)C2=O

InChI

InChI=1S/C27H23ClFN3O3/c1-35-13-12-32-25(20-15-30-22-9-5-4-6-17(20)22)24(18-7-2-3-8-19(18)27(32)34)26(33)31-23-11-10-16(29)14-21(23)28/h2-11,14-15,24-25,30H,12-13H2,1H3,(H,31,33)

InChI Key

ORVICIXSLCWGNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.797

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.83

Polar Surface Area

56.508

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.50

C294-0260 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C294-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C294-0260?
Check Price and Availability of C294-0260, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C294-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C294-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C294-0260
  • 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 C294-0260 available by request