7706-0741 Screening compound: 2-(2-chlorobenzyl)-1-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

7706-0741 Screening compound: 2-(2-chlorobenzyl)-1-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
7706-0741 Screening compound: 2-(2-chlorobenzyl)-1-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0741
2-(2-chlorobenzyl)-1-{[3-(1H-imidazol-1-yl)propyl]amino}-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

7706-0741

Molecular Formula

C26H23ClN6 (C26 H23 ClN6)

Compound Name

2-(2-chlorobenzyl)-1-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-[(2-chlorophenyl)methyl]-13-{[3-(1H-imidazol-1-yl)propyl]amino}-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(c(Cc(cccc1)c1Cl)c(NCCCn1cncc1)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C26H23ClN6/c1-18-20(15-19-7-2-3-8-22(19)27)25(30-11-6-13-32-14-12-29-17-32)33-24-10-5-4-9-23(24)31-26(33)21(18)16-28/h2-5,7-10,12,14,17,30H,6,11,13,15H2,1H3

InChI Key

JFFJCQRXHJMBNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05680063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.96

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.497

Distribution Coefficient, logD

5.255

Water Solubility, LogSw

-6.21

Polar Surface Area

47.385

Acid Dissociation Constant (pKa)

19.09

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

7706-0741 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7706-0741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0741?
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What is the minimum amount of 7706-0741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0741
  • 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 7706-0741 available by request