C063-0022 Screening compound: 2-(4-chlorobenzyl)-1-{[3-(dimethylamino)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

C063-0022 Screening compound: 2-(4-chlorobenzyl)-1-{[3-(dimethylamino)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
C063-0022 Screening compound: 2-(4-chlorobenzyl)-1-{[3-(dimethylamino)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound C063-0022
2-(4-chlorobenzyl)-1-{[3-(dimethylamino)propyl]amino}-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

C063-0022

Molecular Formula

C25H26ClN5 (C25 H26 ClN5)

Compound Name

2-(4-chlorobenzyl)-1-{[3-(dimethylamino)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-[(4-chlorophenyl)methyl]-13-{[3-(dimethylamino)propyl]amino}-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(c(Cc(cc1)ccc1Cl)c(NCCCN(C)C)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C25H26ClN5/c1-17-20(15-18-9-11-19(26)12-10-18)24(28-13-6-14-30(2)3)31-23-8-5-4-7-22(23)29-25(31)21(17)16-27/h4-5,7-12,28H,6,13-15H2,1-3H3

InChI Key

FMYURCXOLGGIQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.97

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.498

Distribution Coefficient, logD

3.562

Water Solubility, LogSw

-6.16

Polar Surface Area

38.722

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

9.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C063-0022 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C063-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C063-0022?
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What is the minimum amount of C063-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C063-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C063-0022
  • 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 C063-0022 available by request