C063-0023 Screening compound: 2-(4-chlorobenzyl)-3-methyl-1-[(3-pyridylmethyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

C063-0023 Screening compound: 2-(4-chlorobenzyl)-3-methyl-1-[(3-pyridylmethyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
C063-0023 Screening compound: 2-(4-chlorobenzyl)-3-methyl-1-[(3-pyridylmethyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound C063-0023
2-(4-chlorobenzyl)-3-methyl-1-[(3-pyridylmethyl)amino]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

C063-0023

Molecular Formula

C26H20ClN5 (C26 H20 ClN5)

Compound Name

2-(4-chlorobenzyl)-3-methyl-1-[(3-pyridylmethyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-[(4-chlorophenyl)methyl]-11-methyl-13-{[(pyridin-3-yl)methyl]amino}-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(c(Cc(cc1)ccc1Cl)c(NCc1cnccc1)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C26H20ClN5/c1-17-21(13-18-8-10-20(27)11-9-18)25(30-16-19-5-4-12-29-15-19)32-24-7-3-2-6-23(24)31-26(32)22(17)14-28/h2-12,15,30H,13,16H2,1H3

InChI Key

VJZFKVHCGJMKLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03687384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.93

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

5.505

Distribution Coefficient, logD

5.489

Water Solubility, LogSw

-6.21

Polar Surface Area

44.261

Acid Dissociation Constant (pKa)

17.67

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

C063-0023 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C063-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C063-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C063-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C063-0023
  • 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 C063-0023 available by request