4708-0071 Screening compound: 11-[(2-piperidinoethyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4708-0071 Screening compound: 11-[(2-piperidinoethyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4708-0071 Screening compound: 11-[(2-piperidinoethyl)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 4708-0071
11-[(2-piperidinoethyl)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

4708-0071

Molecular Formula

C22H25N5 (C22 H25 N5)

Compound Name

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

IUPAC name

16-{[2-(piperidin-1-yl)ethyl]amino}-18-diazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-2(7)3581015-hexaene-10-carbonitrile

SMILES

N#Cc1c(CCC2)c2c(NCCN2CCCCC2)n2c1nc1c2cccc1

InChI

InChI=1S/C22H25N5/c23-15-18-16-7-6-8-17(16)21(24-11-14-26-12-4-1-5-13-26)27-20-10-3-2-9-19(20)25-22(18)27/h2-3,9-10,24H,1,4-8,11-14H2

InChI Key

MVEOKHICOGPIMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01829191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.384

Distribution Coefficient, logD

0.375

Water Solubility, LogSw

-3.50

Polar Surface Area

41.102

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

10.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

4708-0071 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 4708-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0071?
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What is the minimum amount of 4708-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0071
  • 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 4708-0071 available by request