4852-0200 Screening compound: 1-[4-(2-methylallyl)piperazino]-3-propylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4852-0200 Screening compound: 1-[4-(2-methylallyl)piperazino]-3-propylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4852-0200 Screening compound: 1-[4-(2-methylallyl)piperazino]-3-propylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4852-0200
1-[4-(2-methylallyl)piperazino]-3-propylpyrido[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

4852-0200

Molecular Formula

C23H27N5 (C23 H27 N5)

Compound Name

1-[4-(2-methylallyl)piperazino]-3-propylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]-11-propyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

CCCc(cc(n1c2nc3c1cccc3)N1CCN(CC(C)=C)CC1)c2C#N

InChI

InChI=1S/C23H27N5/c1-4-7-18-14-22(27-12-10-26(11-13-27)16-17(2)3)28-21-9-6-5-8-20(21)25-23(28)19(18)15-24/h5-6,8-9,14H,2,4,7,10-13,16H2,1,3H3

InChI Key

PRUASTKNIRSEPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03694637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.352

Distribution Coefficient, logD

5.256

Water Solubility, LogSw

-5.49

Polar Surface Area

31.703

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with 4852-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0200?
Check Price and Availability of 4852-0200, 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 4852-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0200
  • 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 4852-0200 available by request