C063-0014 Screening compound: 1-[4-(1-adamantyl)piperazino]-2-benzyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

C063-0014 Screening compound: 1-[4-(1-adamantyl)piperazino]-2-benzyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
C063-0014 Screening compound: 1-[4-(1-adamantyl)piperazino]-2-benzyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound C063-0014
1-[4-(1-adamantyl)piperazino]-2-benzyl-3-methylpyrido[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

C063-0014

Molecular Formula

C34H37N5 (C34 H37 N5)

Compound Name

1-[4-(1-adamantyl)piperazino]-2-benzyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-[4-(adamantan-1-yl)piperazin-1-yl]-12-benzyl-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(c(Cc1ccccc1)c(n1c2nc3c1cccc3)N(CC1)CCN1C1(CC(C3)C4)CC4CC3C1)c2C#N

InChI

InChI=1S/C34H37N5/c1-23-28(18-24-7-3-2-4-8-24)33(39-31-10-6-5-9-30(31)36-32(39)29(23)22-35)37-11-13-38(14-12-37)34-19-25-15-26(20-34)17-27(16-25)21-34/h2-10,25-27H,11-21H2,1H3

InChI Key

LSALUVMSERJOIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02669140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.7

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.164

Distribution Coefficient, logD

7.229

Water Solubility, LogSw

-6.14

Polar Surface Area

30.047

Acid Dissociation Constant (pKa)

24.18

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

C063-0014 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C063-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C063-0014?
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What is the minimum amount of C063-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C063-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C063-0014
  • 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 C063-0014 available by request