4852-0308 Screening compound: 11-[(3-morpholinopropyl)amino]-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide

4852-0308 Screening compound: 11-[(3-morpholinopropyl)amino]-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide
4852-0308 Screening compound: 11-[(3-morpholinopropyl)amino]-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4852-0308
11-[(3-morpholinopropyl)amino]-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-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

4852-0308

Molecular Formula

C23H27N5O (C23 H27 N5 O)

Compound Name

11-[(3-morpholinopropyl)amino]-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide

IUPAC name

9-{[3-(morpholin-4-yl)propyl]amino}-1017-diazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(17)2811(16)1214-hexaene-2-carbonitrile

SMILES

N#Cc1c(CCCC2)c2c(NCCCN2CCOCC2)n2c1nc1c2cccc1

InChI

InChI=1S/C23H27N5O/c24-16-19-17-6-1-2-7-18(17)22(25-10-5-11-27-12-14-29-15-13-27)28-21-9-4-3-8-20(21)26-23(19)28/h3-4,8-9,25H,1-2,5-7,10-15H2

InChI Key

AKZYJTBWIYLHML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.033

Distribution Coefficient, logD

2.711

Water Solubility, LogSw

-3.03

Polar Surface Area

48.644

Acid Dissociation Constant (pKa)

16.83

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

4852-0308 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4852-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0308?
Check Price and Availability of 4852-0308, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4852-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0308
  • 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 4852-0308 available by request