C063-0009 Screening compound: 11-[(3-ethoxypropyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

C063-0009 Screening compound: 11-[(3-ethoxypropyl)amino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
C063-0009 Screening compound: 11-[(3-ethoxypropyl)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 C063-0009
11-[(3-ethoxypropyl)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

C063-0009

Molecular Formula

C20H22N4O (C20 H22 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCNc(n1c2nc3c1cccc3)c(CCC1)c1c2C#N

InChI

InChI=1S/C20H22N4O/c1-2-25-12-6-11-22-19-15-8-5-7-14(15)16(13-21)20-23-17-9-3-4-10-18(17)24(19)20/h3-4,9-10,22H,2,5-8,11-12H2,1H3

InChI Key

KQMWRLUPFZJGPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01066704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.201

Distribution Coefficient, logD

3.201

Water Solubility, LogSw

-3.16

Polar Surface Area

45.368

Acid Dissociation Constant (pKa)

16.83

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C063-0009 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 C063-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C063-0009?
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What is the minimum amount of C063-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C063-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C063-0009
  • 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 C063-0009 available by request