C326-0346 Screening compound: 10-(3-{[4-(3-chlorophenyl)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

C326-0346 Screening compound: 10-(3-{[4-(3-chlorophenyl)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
C326-0346 Screening compound: 10-(3-{[4-(3-chlorophenyl)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 C326-0346
10-(3-{[4-(3-chlorophenyl)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

C326-0346

Molecular Formula

C30H31ClN4O4 (C30 H31 ClN4 O4)

Compound Name

10-(3-{[4-(3-chlorophenyl)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-(3-chlorophenyl)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(c1cccc(C(N(CC2)CCN2c2cccc(Cl)c2)=O)c1)C3=O

InChI

InChI=1S/C30H31ClN4O4/c1-3-38-26-12-6-11-24-25-19-30(2,39-27(24)26)35(29(37)32-25)23-10-4-7-20(17-23)28(36)34-15-13-33(14-16-34)22-9-5-8-21(31)18-22/h4-12,17-18,25H,3,13-16,19H2,1-2H3,(H,32,37)

InChI Key

ZLKIGHRPRPJCOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.05

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

4.992

Distribution Coefficient, logD

4.992

Water Solubility, LogSw

-5.17

Polar Surface Area

59.880

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

C326-0346 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C326-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0346?
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What is the minimum amount of C326-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0346
  • 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 C326-0346 available by request