C326-0097 Screening compound: 9-METHYL-10-{3-[4-(PYRIDIN-2-YL)PIPERAZINE-1-CARBONYL]PHENYL}-8-OXA-10,12-DIAZATRICYCLO[7.3.1.0^(2,7)]TRIDECA-2,4,6-TRIEN-11-ONE

C326-0097 Screening compound: 9-METHYL-10-{3-[4-(PYRIDIN-2-YL)PIPERAZINE-1-CARBONYL]PHENYL}-8-OXA-10,12-DIAZATRICYCLO[7.3.1.0^(2,7)]TRIDECA-2,4,6-TRIEN-11-ONE
C326-0097 Screening compound: 9-METHYL-10-{3-[4-(PYRIDIN-2-YL)PIPERAZINE-1-CARBONYL]PHENYL}-8-OXA-10,12-DIAZATRICYCLO[7.3.1.0^(2,7)]TRIDECA-2,4,6-TRIEN-11-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C326-0097
9-METHYL-10-{3-[4-(PYRIDIN-2-YL)PIPERAZINE-1-CARBONYL]PHENYL}-8-OXA-10,12-DIAZATRICYCLO[7.3.1.0^(2,7)]TRIDECA-2,4,6-TRIEN-11-ONE

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

C326-0097

Molecular Formula

C27H27N5O3 (C27 H27 N5 O3)

Compound Name

9-METHYL-10-{3-[4-(PYRIDIN-2-YL)PIPERAZINE-1-CARBONYL]PHENYL}-8-OXA-10,12-DIAZATRICYCLO[7.3.1.0^(2,7)]TRIDECA-2,4,6-TRIEN-11-ONE

IUPAC name

n/a

SMILES

CC(CC1N2)(N(c3cc(C(N(CC4)CCN4c4ncccc4)=O)ccc3)C2=O)Oc2c1cccc2

InChI

InChI=1S/C27H27N5O3/c1-27-18-22(21-9-2-3-10-23(21)35-27)29-26(34)32(27)20-8-6-7-19(17-20)25(33)31-15-13-30(14-16-31)24-11-4-5-12-28-24/h2-12,17,22H,13-16,18H2,1H3,(H,29,34)

InChI Key

HDXJVJPMDBWADI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

3.618

Water Solubility, LogSw

-3.91

Polar Surface Area

61.497

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

C326-0097 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C326-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0097?
Check Price and Availability of C326-0097, 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 C326-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0097
  • 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 C326-0097 available by request