4708-0165 Screening compound: 2-(4-chlorobenzyl)-3-methyl-1-(4-methylpiperazino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4708-0165 Screening compound: 2-(4-chlorobenzyl)-3-methyl-1-(4-methylpiperazino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4708-0165 Screening compound: 2-(4-chlorobenzyl)-3-methyl-1-(4-methylpiperazino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4708-0165
2-(4-chlorobenzyl)-3-methyl-1-(4-methylpiperazino)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

4708-0165

Molecular Formula

C25H24ClN5 (C25 H24 ClN5)

Compound Name

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

IUPAC name

12-[(4-chlorophenyl)methyl]-11-methyl-13-(4-methylpiperazin-1-yl)-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(c(Cc(cc1)ccc1Cl)c(n1c2nc3c1cccc3)N1CCN(C)CC1)c2C#N

InChI

InChI=1S/C25H24ClN5/c1-17-20(15-18-7-9-19(26)10-8-18)25(30-13-11-29(2)12-14-30)31-23-6-4-3-5-22(23)28-24(31)21(17)16-27/h3-10H,11-15H2,1-2H3

InChI Key

XTSRBTJWVWGYAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.95

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.686

Distribution Coefficient, logD

4.230

Water Solubility, LogSw

-6.24

Polar Surface Area

30.571

Acid Dissociation Constant (pKa)

23.71

Base Dissociation Constant (pKb)

8.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

4708-0165 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4708-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0165?
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What is the minimum amount of 4708-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0165
  • 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 4708-0165 available by request