5228-5345 Screening compound: 3-isopropyl-1-(phenethylamino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

5228-5345 Screening compound: 3-isopropyl-1-(phenethylamino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
5228-5345 Screening compound: 3-isopropyl-1-(phenethylamino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5228-5345
3-isopropyl-1-(phenethylamino)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

5228-5345

Molecular Formula

C23H22N4 (C23 H22 N4)

Compound Name

3-isopropyl-1-(phenethylamino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-[(2-phenylethyl)amino]-11-(propan-2-yl)-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

CC(C)c(cc(NCCc1ccccc1)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C23H22N4/c1-16(2)18-14-22(25-13-12-17-8-4-3-5-9-17)27-21-11-7-6-10-20(21)26-23(27)19(18)15-24/h3-11,14,16,25H,12-13H2,1-2H3

InChI Key

ABRRRIQTOALPQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03552023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.45

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.290

Distribution Coefficient, logD

5.290

Water Solubility, LogSw

-5.48

Polar Surface Area

35.778

Acid Dissociation Constant (pKa)

17.84

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 5228-5345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5228-5345?
Check Price and Availability of 5228-5345, 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 5228-5345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5228-5345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5228-5345
  • 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 5228-5345 available by request