4708-0014 Screening compound: 1-[4-(4-methoxybenzyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4708-0014 Screening compound: 1-[4-(4-methoxybenzyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4708-0014 Screening compound: 1-[4-(4-methoxybenzyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4708-0014
1-[4-(4-methoxybenzyl)piperazino]-3-methylpyrido[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

4708-0014

Molecular Formula

C25H25N5O (C25 H25 N5 O)

Compound Name

1-[4-(4-methoxybenzyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

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

SMILES

Cc(cc(n1c2nc3c1cccc3)N1CCN(Cc(cc3)ccc3OC)CC1)c2C#N

InChI

InChI=1S/C25H25N5O/c1-18-15-24(30-23-6-4-3-5-22(23)27-25(30)21(18)16-26)29-13-11-28(12-14-29)17-19-7-9-20(31-2)10-8-19/h3-10,15H,11-14,17H2,1-2H3

InChI Key

RDMLEOHUFXRJKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02069195

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

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.737

Distribution Coefficient, logD

4.624

Water Solubility, LogSw

-4.68

Polar Surface Area

38.975

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

4708-0014 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4708-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0014?
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What is the minimum amount of 4708-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0014
  • 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 4708-0014 available by request