4852-0306 Screening compound: 11-[4-(2-hydroxyethyl)piperazino]-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide

4852-0306 Screening compound: 11-[4-(2-hydroxyethyl)piperazino]-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide
4852-0306 Screening compound: 11-[4-(2-hydroxyethyl)piperazino]-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4852-0306
11-[4-(2-hydroxyethyl)piperazino]-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

4852-0306

Molecular Formula

C22H25N5O (C22 H25 N5 O)

Compound Name

11-[4-(2-hydroxyethyl)piperazino]-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-6-yl cyanide

IUPAC name

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

SMILES

N#Cc(c1nc(cccc2)c2n11)c(CCCC2)c2c1N1CCN(CCO)CC1

InChI

InChI=1S/C22H25N5O/c23-15-18-16-5-1-2-6-17(16)22(26-11-9-25(10-12-26)13-14-28)27-20-8-4-3-7-19(20)24-21(18)27/h3-4,7-8,28H,1-2,5-6,9-14H2

InChI Key

BDNWDDQMLGFDFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.010

Distribution Coefficient, logD

2.478

Water Solubility, LogSw

-2.84

Polar Surface Area

52.561

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

7.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

4852-0306 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4852-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0306?
Check Price and Availability of 4852-0306, 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 4852-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0306
  • 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 4852-0306 available by request