C063-0003 Screening compound: 3-methyl-1-[4-(2-phenoxyethyl)piperazino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

C063-0003 Screening compound: 3-methyl-1-[4-(2-phenoxyethyl)piperazino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
C063-0003 Screening compound: 3-methyl-1-[4-(2-phenoxyethyl)piperazino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound C063-0003
3-methyl-1-[4-(2-phenoxyethyl)piperazino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

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

C063-0003

Molecular Formula

C25H25N5O (C25 H25 N5 O)

Compound Name

3-methyl-1-[4-(2-phenoxyethyl)piperazino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

11-methyl-13-[4-(2-phenoxyethyl)piperazin-1-yl]-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(cc(n1c2nc3c1cccc3)N1CCN(CCOc3ccccc3)CC1)c2C#N

InChI

InChI=1S/C25H25N5O/c1-19-17-24(30-23-10-6-5-9-22(23)27-25(30)21(19)18-26)29-13-11-28(12-14-29)15-16-31-20-7-3-2-4-8-20/h2-10,17H,11-16H2,1H3

InChI Key

CBVWASWKZIEWOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03284721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.007

Distribution Coefficient, logD

4.913

Water Solubility, LogSw

-4.75

Polar Surface Area

38.828

Acid Dissociation Constant (pKa)

25.49

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C063-0003 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C063-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C063-0003?
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What is the minimum amount of C063-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C063-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C063-0003
  • 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 C063-0003 available by request