4708-0045 Screening compound: 1-{4-[2-(4-chlorophenoxy)ethyl]piperazino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4708-0045 Screening compound: 1-{4-[2-(4-chlorophenoxy)ethyl]piperazino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4708-0045 Screening compound: 1-{4-[2-(4-chlorophenoxy)ethyl]piperazino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4708-0045
1-{4-[2-(4-chlorophenoxy)ethyl]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

4708-0045

Molecular Formula

C25H24ClN5O (C25 H24 ClN5 O)

Compound Name

1-{4-[2-(4-chlorophenoxy)ethyl]piperazino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

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

SMILES

Cc(cc(n1c2nc3c1cccc3)N1CCN(CCOc(cc3)ccc3Cl)CC1)c2C#N

InChI

InChI=1S/C25H24ClN5O/c1-18-16-24(31-23-5-3-2-4-22(23)28-25(31)21(18)17-27)30-12-10-29(11-13-30)14-15-32-20-8-6-19(26)7-9-20/h2-9,16H,10-15H2,1H3

InChI Key

RVVDXHDNUIUGTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03066944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.95

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

5.630

Distribution Coefficient, logD

5.536

Water Solubility, LogSw

-6.10

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

4708-0045 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 4708-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0045?
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What is the minimum amount of 4708-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0045
  • 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 4708-0045 available by request