4852-0197 Screening compound: 1-(1H-1,3-benzimidazol-1-yl)-3-propylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4852-0197 Screening compound: 1-(1H-1,3-benzimidazol-1-yl)-3-propylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4852-0197 Screening compound: 1-(1H-1,3-benzimidazol-1-yl)-3-propylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4852-0197
1-(1H-1,3-benzimidazol-1-yl)-3-propylpyrido[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

4852-0197

Molecular Formula

C22H17N5 (C22 H17 N5)

Compound Name

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

IUPAC name

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

SMILES

CCCc(cc(-n1c(cccc2)c2nc1)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C22H17N5/c1-2-7-15-12-21(26-14-24-17-8-3-5-10-19(17)26)27-20-11-6-4-9-18(20)25-22(27)16(15)13-23/h3-6,8-12,14H,2,7H2,1H3

InChI Key

YHGFLTACVPSCNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03684343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

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

5.256

Distribution Coefficient, logD

5.235

Water Solubility, LogSw

-5.29

Polar Surface Area

35.082

Acid Dissociation Constant (pKa)

27.07

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4852-0197 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 4852-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0197?
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What is the minimum amount of 4852-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0197
  • 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 4852-0197 available by request