C066-2485 Screening compound: N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

C066-2485 Screening compound: N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide
C066-2485 Screening compound: N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2485
N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-5-oxo-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

C066-2485

Molecular Formula

C32H35N3O2 (C32 H35 N3 O2)

Compound Name

N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-5-oxo-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

IUPAC name

N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-5-oxo-7812b13-tetrahydro-5H-6-azatetraphene-13-carboxamide

SMILES

Cc1cccc(CN2CCC(CNC(C(C3N4CCc5c3cccc5)c(cccc3)c3C4=O)=O)CC2)c1

InChI

InChI=1S/C32H35N3O2/c1-22-7-6-8-24(19-22)21-34-16-13-23(14-17-34)20-33-31(36)29-27-11-4-5-12-28(27)32(37)35-18-15-25-9-2-3-10-26(25)30(29)35/h2-12,19,23,29-30H,13-18,20-21H2,1H3,(H,33,36)

InChI Key

RJWWKNZVXLXJPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.123

Distribution Coefficient, logD

2.631

Water Solubility, LogSw

-5.03

Polar Surface Area

44.092

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

C066-2485 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C066-2485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2485?
Check Price and Availability of C066-2485, 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 C066-2485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2485
  • 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 C066-2485 available by request