C326-0350 Screening compound: 10-(3-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}phenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C326-0350 Screening compound: 10-(3-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}phenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C326-0350 Screening compound: 10-(3-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}phenyl)-6-ethoxy-9-methyl-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 C326-0350
10-(3-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}phenyl)-6-ethoxy-9-methyl-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

C326-0350

Molecular Formula

C32H36N4O4 (C32 H36 N4 O4)

Compound Name

10-(3-{[4-(2,5-dimethylphenyl)piperazino]carbonyl}phenyl)-6-ethoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

IUPAC name

10-{3-[4-(25-dimethylphenyl)piperazine-1-carbonyl]phenyl}-6-ethoxy-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CCOc1cccc(C(C2)N3)c1OC2(C)N(c1cc(C(N(CC2)CCN2c2c(C)ccc(C)c2)=O)ccc1)C3=O

InChI

InChI=1S/C32H36N4O4/c1-5-39-28-11-7-10-25-26-20-32(4,40-29(25)28)36(31(38)33-26)24-9-6-8-23(19-24)30(37)35-16-14-34(15-17-35)27-18-21(2)12-13-22(27)3/h6-13,18-19,26H,5,14-17,20H2,1-4H3,(H,33,38)

InChI Key

DCSUNFQGJLHNCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.566

Distribution Coefficient, logD

5.566

Water Solubility, LogSw

-5.41

Polar Surface Area

59.579

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

C326-0350 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 C326-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0350?
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What is the minimum amount of C326-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0350
  • 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 C326-0350 available by request