C289-0213 Screening compound: 10,11-diethoxy-5-oxo-N-[(1-phenylcyclopentyl)methyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

C289-0213 Screening compound: 10,11-diethoxy-5-oxo-N-[(1-phenylcyclopentyl)methyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide
C289-0213 Screening compound: 10,11-diethoxy-5-oxo-N-[(1-phenylcyclopentyl)methyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0213
10,11-diethoxy-5-oxo-N-[(1-phenylcyclopentyl)methyl]-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

C289-0213

Molecular Formula

C34H38N2O4 (C34 H38 N2 O4)

Compound Name

10,11-diethoxy-5-oxo-N-[(1-phenylcyclopentyl)methyl]-7,8,12b,13-tetrahydro-5H-6-azatetraphene-13-carboxamide

IUPAC name

1011-diethoxy-5-oxo-N-[(1-phenylcyclopentyl)methyl]-7812b13-tetrahydro-5H-6-azatetraphene-13-carboxamide

SMILES

CCOc1cc(CCN(C2C(C(NCC3(CCCC3)c3ccccc3)=O)c3c4cccc3)C4=O)c2cc1OCC

InChI

InChI=1S/C34H38N2O4/c1-3-39-28-20-23-16-19-36-31(27(23)21-29(28)40-4-2)30(25-14-8-9-15-26(25)33(36)38)32(37)35-22-34(17-10-11-18-34)24-12-6-5-7-13-24/h5-9,12-15,20-21,30-31H,3-4,10-11,16-19,22H2,1-2H3,(H,35,37)

InChI Key

SFUJOKYCMUNPPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.496

Distribution Coefficient, logD

4.496

Water Solubility, LogSw

-4.21

Polar Surface Area

55.066

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.20

C289-0213 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C289-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0213?
Check Price and Availability of C289-0213, 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 C289-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0213
  • 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 C289-0213 available by request