4708-0162 Screening compound: 2-ethyl-1-[4-(2-hydroxyethyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4708-0162 Screening compound: 2-ethyl-1-[4-(2-hydroxyethyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4708-0162 Screening compound: 2-ethyl-1-[4-(2-hydroxyethyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4708-0162
2-ethyl-1-[4-(2-hydroxyethyl)piperazino]-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

4708-0162

Molecular Formula

C21H25N5O (C21 H25 N5 O)

Compound Name

2-ethyl-1-[4-(2-hydroxyethyl)piperazino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-ethyl-13-[4-(2-hydroxyethyl)piperazin-1-yl]-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

CCc(c(C)c(c1nc(cccc2)c2n11)C#N)c1N1CCN(CCO)CC1

InChI

InChI=1S/C21H25N5O/c1-3-16-15(2)17(14-22)20-23-18-6-4-5-7-19(18)26(20)21(16)25-10-8-24(9-11-25)12-13-27/h4-7,27H,3,8-13H2,1-2H3

InChI Key

LZKQKMNFXONPRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

2.891

Water Solubility, LogSw

-3.94

Polar Surface Area

47.812

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 4708-0162 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0162?
Check Price and Availability of 4708-0162, 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 4708-0162 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0162
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0162
  • 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 4708-0162 available by request