5228-5356 Screening compound: 1-[4-(4-chlorobenzyl)piperazino]-3-isopropylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

5228-5356 Screening compound: 1-[4-(4-chlorobenzyl)piperazino]-3-isopropylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
5228-5356 Screening compound: 1-[4-(4-chlorobenzyl)piperazino]-3-isopropylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-5356
1-[4-(4-chlorobenzyl)piperazino]-3-isopropylpyrido[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

5228-5356

Molecular Formula

C26H26ClN5 (C26 H26 ClN5)

Compound Name

1-[4-(4-chlorobenzyl)piperazino]-3-isopropylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

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

SMILES

CC(C)c(cc(n1c2nc3c1cccc3)N1CCN(Cc(cc3)ccc3Cl)CC1)c2C#N

InChI

InChI=1S/C26H26ClN5/c1-18(2)21-15-25(32-24-6-4-3-5-23(24)29-26(32)22(21)16-28)31-13-11-30(12-14-31)17-19-7-9-20(27)10-8-19/h3-10,15,18H,11-14,17H2,1-2H3

InChI Key

FJONRWHYWONIQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03552036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.98

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.049

Distribution Coefficient, logD

5.988

Water Solubility, LogSw

-6.30

Polar Surface Area

31.431

Acid Dissociation Constant (pKa)

24.66

Base Dissociation Constant (pKb)

6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

5228-5356 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5228-5356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-5356?
Check Price and Availability of 5228-5356, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5228-5356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-5356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-5356
  • 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 5228-5356 available by request