C201-0260 Screening compound: N~1~-(1-benzyl-4-piperidyl)-3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide

C201-0260 Screening compound: N~1~-(1-benzyl-4-piperidyl)-3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide
C201-0260 Screening compound: N~1~-(1-benzyl-4-piperidyl)-3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0260
N~1~-(1-benzyl-4-piperidyl)-3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide

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

C201-0260

Molecular Formula

C30H32N4O3 (C30 H32 N4 O3)

Compound Name

N~1~-(1-benzyl-4-piperidyl)-3-(9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-10-yl)benzamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-3-{9-methyl-11-oxo-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-10-yl}benzamide

SMILES

CC(CC1N2)(N(c3cc(C(NC4CCN(Cc5ccccc5)CC4)=O)ccc3)C2=O)Oc2c1cccc2

InChI

InChI=1S/C30H32N4O3/c1-30-19-26(25-12-5-6-13-27(25)37-30)32-29(36)34(30)24-11-7-10-22(18-24)28(35)31-23-14-16-33(17-15-23)20-21-8-3-2-4-9-21/h2-13,18,23,26H,14-17,19-20H2,1H3,(H,31,35)(H,32,36)

InChI Key

UOGITPDJQVPCIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.229

Distribution Coefficient, logD

2.784

Water Solubility, LogSw

-4.31

Polar Surface Area

60.756

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

C201-0260 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C201-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0260?
Check Price and Availability of C201-0260, 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 C201-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0260
  • 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 C201-0260 available by request