4708-0075 Screening compound: 11-{[3-(dimethylamino)propyl]amino}-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4708-0075 Screening compound: 11-{[3-(dimethylamino)propyl]amino}-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4708-0075 Screening compound: 11-{[3-(dimethylamino)propyl]amino}-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4708-0075
11-{[3-(dimethylamino)propyl]amino}-2,3-dihydro-1H-cyclopenta[4,5]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

4708-0075

Molecular Formula

C20H23N5 (C20 H23 N5)

Compound Name

11-{[3-(dimethylamino)propyl]amino}-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

16-{[3-(dimethylamino)propyl]amino}-18-diazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-2(7)3581015-hexaene-10-carbonitrile

SMILES

CN(C)CCCNc(n1c2nc3c1cccc3)c(CCC1)c1c2C#N

InChI

InChI=1S/C20H23N5/c1-24(2)12-6-11-22-19-15-8-5-7-14(15)16(13-21)20-23-17-9-3-4-10-18(17)25(19)20/h3-4,9-10,22H,5-8,11-12H2,1-2H3

InChI Key

QGYIOTDJZSUIOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01066705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.547

Distribution Coefficient, logD

0.251

Water Solubility, LogSw

-2.48

Polar Surface Area

41.257

Acid Dissociation Constant (pKa)

16.83

Base Dissociation Constant (pKb)

9.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

4708-0075 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4708-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0075?
Check Price and Availability of 4708-0075, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4708-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0075
  • 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 4708-0075 available by request