C066-2355 Screening compound: 2,3-dimethoxy-5-oxo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

C066-2355 Screening compound: 2,3-dimethoxy-5-oxo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide
C066-2355 Screening compound: 2,3-dimethoxy-5-oxo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2355
2,3-dimethoxy-5-oxo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-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

C066-2355

Molecular Formula

C31H33N3O4 (C31 H33 N3 O4)

Compound Name

2,3-dimethoxy-5-oxo-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

IUPAC name

23-dimethoxy-5-oxo-N-[2-(1234-tetrahydroisoquinolin-2-yl)ethyl]-7812b13-tetrahydro-5H-6-azatetraphene-13-carboxamide

SMILES

COc(c(OC)c1)cc(C(C2N3CCc4c2cccc4)C(NCCN(CC2)Cc4c2cccc4)=O)c1C3=O

InChI

InChI=1S/C31H33N3O4/c1-37-26-17-24-25(18-27(26)38-2)31(36)34-15-12-21-8-5-6-10-23(21)29(34)28(24)30(35)32-13-16-33-14-11-20-7-3-4-9-22(20)19-33/h3-10,17-18,28-29H,11-16,19H2,1-2H3,(H,32,35)

InChI Key

RYYZAEGIGAMAKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

3.096

Water Solubility, LogSw

-3.83

Polar Surface Area

59.106

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.50

C066-2355 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C066-2355 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2355?
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What is the minimum amount of C066-2355 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2355
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2355
  • 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 C066-2355 available by request