4852-0819 Screening compound: 1-(1H-1,3-benzimidazol-1-yl)-2-butyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4852-0819 Screening compound: 1-(1H-1,3-benzimidazol-1-yl)-2-butyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4852-0819 Screening compound: 1-(1H-1,3-benzimidazol-1-yl)-2-butyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4852-0819
1-(1H-1,3-benzimidazol-1-yl)-2-butyl-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

4852-0819

Molecular Formula

C24H21N5 (C24 H21 N5)

Compound Name

1-(1H-1,3-benzimidazol-1-yl)-2-butyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

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

SMILES

CCCCc(c(C)c1C#N)c(-n2c(cccc3)c3nc2)n2c1nc1c2cccc1

InChI

InChI=1S/C24H21N5/c1-3-4-9-17-16(2)18(14-25)23-27-20-11-6-8-13-22(20)29(23)24(17)28-15-26-19-10-5-7-12-21(19)28/h5-8,10-13,15H,3-4,9H2,1-2H3

InChI Key

OUUPVJBUJVBPSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03302398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

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

6.111

Distribution Coefficient, logD

6.093

Water Solubility, LogSw

-5.71

Polar Surface Area

34.557

Acid Dissociation Constant (pKa)

21.34

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

4852-0819 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 4852-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0819?
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What is the minimum amount of 4852-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0819
  • 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 4852-0819 available by request