C326-0382 Screening compound: 10-{3-[(4-benzylpiperazino)carbonyl]phenyl}-4,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C326-0382 Screening compound: 10-{3-[(4-benzylpiperazino)carbonyl]phenyl}-4,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C326-0382 Screening compound: 10-{3-[(4-benzylpiperazino)carbonyl]phenyl}-4,9-dimethyl-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 C326-0382
10-{3-[(4-benzylpiperazino)carbonyl]phenyl}-4,9-dimethyl-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

C326-0382

Molecular Formula

C30H32N4O3 (C30 H32 N4 O3)

Compound Name

10-{3-[(4-benzylpiperazino)carbonyl]phenyl}-4,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

10-[3-(4-benzylpiperazine-1-carbonyl)phenyl]-49-dimethyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1N2)(N(c3cc(C(N4CCN(Cc5ccccc5)CC4)=O)ccc3)C2=O)Oc2c1cc(C)cc2

InChI

InChI=1S/C30H32N4O3/c1-21-11-12-27-25(17-21)26-19-30(2,37-27)34(29(36)31-26)24-10-6-9-23(18-24)28(35)33-15-13-32(14-16-33)20-22-7-4-3-5-8-22/h3-12,17-18,26H,13-16,19-20H2,1-2H3,(H,31,36)

InChI Key

OZABUYXDFSNDPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.040

Distribution Coefficient, logD

4.024

Water Solubility, LogSw

-4.12

Polar Surface Area

53.266

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

C326-0382 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)

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 C326-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0382?
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What is the minimum amount of C326-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0382
  • 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 C326-0382 available by request