C063-0008 Screening compound: 11-[4-(1-adamantyl)piperazino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

C063-0008 Screening compound: 11-[4-(1-adamantyl)piperazino]-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
C063-0008 Screening compound: 11-[4-(1-adamantyl)piperazino]-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 C063-0008
11-[4-(1-adamantyl)piperazino]-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

C063-0008

Molecular Formula

C29H33N5 (C29 H33 N5)

Compound Name

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

IUPAC name

16-[4-(adamantan-1-yl)piperazin-1-yl]-18-diazatetracyclo[7.7.0.0^{27}.0^{1115}]hexadeca-2(7)3581015-hexaene-10-carbonitrile

SMILES

N#Cc(c1nc(cccc2)c2n11)c(CCC2)c2c1N(CC1)CCN1C1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C29H33N5/c30-18-24-22-4-3-5-23(22)28(34-26-7-2-1-6-25(26)31-27(24)34)32-8-10-33(11-9-32)29-15-19-12-20(16-29)14-21(13-19)17-29/h1-2,6-7,19-21H,3-5,8-17H2

InChI Key

NGPUKWYSLVWPMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02669223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.909

Distribution Coefficient, logD

5.209

Water Solubility, LogSw

-6.06

Polar Surface Area

35.433

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.60

C063-0008 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C063-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C063-0008?
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What is the minimum amount of C063-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C063-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C063-0008
  • 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 C063-0008 available by request