3084-0226 Screening compound: 2-benzyl-1-(4-benzylpiperazino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3084-0226 Screening compound: 2-benzyl-1-(4-benzylpiperazino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3084-0226 Screening compound: 2-benzyl-1-(4-benzylpiperazino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3084-0226
2-benzyl-1-(4-benzylpiperazino)-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

3084-0226

Molecular Formula

C31H29N5 (C31 H29 N5)

Compound Name

2-benzyl-1-(4-benzylpiperazino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

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

SMILES

Cc(c(Cc1ccccc1)c(n1c2nc3c1cccc3)N1CCN(Cc3ccccc3)CC1)c2C#N

InChI

InChI=1S/C31H29N5/c1-23-26(20-24-10-4-2-5-11-24)31(35-18-16-34(17-19-35)22-25-12-6-3-7-13-25)36-29-15-9-8-14-28(29)33-30(36)27(23)21-32/h2-15H,16-20,22H2,1H3

InChI Key

RXLPOMBNPGVPJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01038416

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.589

Distribution Coefficient, logD

6.005

Water Solubility, LogSw

-6.01

Polar Surface Area

30.635

Acid Dissociation Constant (pKa)

24.18

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.60

3084-0226 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3084-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3084-0226?
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What is the minimum amount of 3084-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3084-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3084-0226
  • 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 3084-0226 available by request