7706-0742 Screening compound: 2-(2-chlorobenzyl)-3-methyl-1-[(3-morpholinopropyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

7706-0742 Screening compound: 2-(2-chlorobenzyl)-3-methyl-1-[(3-morpholinopropyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
7706-0742 Screening compound: 2-(2-chlorobenzyl)-3-methyl-1-[(3-morpholinopropyl)amino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0742
2-(2-chlorobenzyl)-3-methyl-1-[(3-morpholinopropyl)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

7706-0742

Molecular Formula

C27H28ClN5O (C27 H28 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(Cc(cccc1)c1Cl)c(NCCCN1CCOCC1)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C27H28ClN5O/c1-19-21(17-20-7-2-3-8-23(20)28)26(30-11-6-12-32-13-15-34-16-14-32)33-25-10-5-4-9-24(25)31-27(33)22(19)18-29/h2-5,7-10,30H,6,11-17H2,1H3

InChI Key

SDQYOQVHLFYHFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05679493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.445

Distribution Coefficient, logD

5.276

Water Solubility, LogSw

-6.14

Polar Surface Area

46.475

Acid Dissociation Constant (pKa)

19.55

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

7706-0742 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7706-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0742?
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What is the minimum amount of 7706-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0742
  • 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 7706-0742 available by request