C326-0085 Screening compound: 10-(3-{[4-(5-chloro-2-methylphenyl)piperazino]carbonyl}phenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C326-0085 Screening compound: 10-(3-{[4-(5-chloro-2-methylphenyl)piperazino]carbonyl}phenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C326-0085 Screening compound: 10-(3-{[4-(5-chloro-2-methylphenyl)piperazino]carbonyl}phenyl)-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 C326-0085
10-(3-{[4-(5-chloro-2-methylphenyl)piperazino]carbonyl}phenyl)-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

C326-0085

Molecular Formula

C29H29ClN4O3 (C29 H29 ClN4 O3)

Compound Name

10-(3-{[4-(5-chloro-2-methylphenyl)piperazino]carbonyl}phenyl)-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-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]phenyl}-9-methyl-8-oxa-1012-diazatricyclo[7.3.1.0^{27}]trideca-246-trien-11-one

SMILES

CC(CC1N2)(N(c3cccc(C(N(CC4)CCN4c4c(C)ccc(Cl)c4)=O)c3)C2=O)Oc2c1cccc2

InChI

InChI=1S/C29H29ClN4O3/c1-19-10-11-21(30)17-25(19)32-12-14-33(15-13-32)27(35)20-6-5-7-22(16-20)34-28(36)31-24-18-29(34,2)37-26-9-4-3-8-23(24)26/h3-11,16-17,24H,12-15,18H2,1-2H3,(H,31,36)

InChI Key

RWYAULGODRVVKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14748859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.03

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

5.242

Distribution Coefficient, logD

5.242

Water Solubility, LogSw

-5.71

Polar Surface Area

52.685

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

C326-0085 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 C326-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C326-0085?
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What is the minimum amount of C326-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C326-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C326-0085
  • 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 C326-0085 available by request