C294-0501 Screening compound: N-(4-bromo-2-methylphenyl)-2-(2-methoxyethyl)-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C294-0501 Screening compound: N-(4-bromo-2-methylphenyl)-2-(2-methoxyethyl)-3-(1-methyl-1H-indol-3-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C294-0501 Screening compound: N-(4-bromo-2-methylphenyl)-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 C294-0501
N-(4-bromo-2-methylphenyl)-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

C294-0501

Molecular Formula

C29H28BrN3O3 (C29 H28 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)Br)c1NC(C(C(c1cn(C)c2c1cccc2)N1CCOC)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C29H28BrN3O3/c1-18-16-19(30)12-13-24(18)31-28(34)26-21-9-4-5-10-22(21)29(35)33(14-15-36-3)27(26)23-17-32(2)25-11-7-6-8-20(23)25/h4-13,16-17,26-27H,14-15H2,1-3H3,(H,31,34)

InChI Key

YEGDUBCRNSRWPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.46

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

5.123

Distribution Coefficient, logD

5.113

Water Solubility, LogSw

-4.95

Polar Surface Area

49.196

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.10

C294-0501 in Drug Discovery

Included in Screening Libraries

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 C294-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C294-0501?
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What is the minimum amount of C294-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C294-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C294-0501
  • 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 C294-0501 available by request