C326-0398 Screening compound: 10-(3-{[4-(2,4-dimethylphenyl)piperazino]carbonyl}phenyl)-4,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C326-0398 Screening compound: 10-(3-{[4-(2,4-dimethylphenyl)piperazino]carbonyl}phenyl)-4,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C326-0398 Screening compound: 10-(3-{[4-(2,4-dimethylphenyl)piperazino]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 C326-0398
10-(3-{[4-(2,4-dimethylphenyl)piperazino]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

C326-0398

Molecular Formula

C31H34N4O3 (C31 H34 N4 O3)

Compound Name

10-(3-{[4-(2,4-dimethylphenyl)piperazino]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-(24-dimethylphenyl)piperazine-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(N(CC4)CCN4c4c(C)cc(C)cc4)=O)ccc3)C2=O)Oc2c1cc(C)cc2

InChI

InChI=1S/C31H34N4O3/c1-20-8-10-27(22(3)16-20)33-12-14-34(15-13-33)29(36)23-6-5-7-24(18-23)35-30(37)32-26-19-31(35,4)38-28-11-9-21(2)17-25(26)28/h5-11,16-18,26H,12-15,19H2,1-4H3,(H,32,37)

InChI Key

FSXWSDVRMPFNAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.696

Distribution Coefficient, logD

5.696

Water Solubility, LogSw

-5.50

Polar Surface Area

52.685

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.50

C326-0398 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with C326-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0398?
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What is the minimum amount of C326-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0398
  • 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 C326-0398 available by request