C432-0076 Screening compound: 10-(4-{[4-(3-methoxyphenyl)piperazino]carbonyl}phenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one

C432-0076 Screening compound: 10-(4-{[4-(3-methoxyphenyl)piperazino]carbonyl}phenyl)-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one
C432-0076 Screening compound: 10-(4-{[4-(3-methoxyphenyl)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 C432-0076
10-(4-{[4-(3-methoxyphenyl)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

C432-0076

Molecular Formula

C29H30N4O4 (C29 H30 N4 O4)

Compound Name

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

SMILES

CC(CC1N2)(N(c(cc3)ccc3C(N(CC3)CCN3c3cc(OC)ccc3)=O)C2=O)Oc2c1cccc2

InChI

InChI=1S/C29H30N4O4/c1-29-19-25(24-8-3-4-9-26(24)37-29)30-28(35)33(29)21-12-10-20(11-13-21)27(34)32-16-14-31(15-17-32)22-6-5-7-23(18-22)36-2/h3-13,18,25H,14-17,19H2,1-2H3,(H,30,35)

InChI Key

JHMBUVIRJOTAJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.037

Distribution Coefficient, logD

4.037

Water Solubility, LogSw

-4.26

Polar Surface Area

60.529

Acid Dissociation Constant (pKa)

13.24

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

C432-0076 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C432-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C432-0076?
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What is the minimum amount of C432-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C432-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C432-0076
  • 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 C432-0076 available by request