3084-0256 Screening compound: 2-ethyl-3-methyl-1-{4-[(E)-3-phenyl-2-propenyl]piperazino}pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3084-0256 Screening compound: 2-ethyl-3-methyl-1-{4-[(E)-3-phenyl-2-propenyl]piperazino}pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3084-0256 Screening compound: 2-ethyl-3-methyl-1-{4-[(E)-3-phenyl-2-propenyl]piperazino}pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3084-0256
2-ethyl-3-methyl-1-{4-[(E)-3-phenyl-2-propenyl]piperazino}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

3084-0256

Molecular Formula

C28H29N5 (C28 H29 N5)

Compound Name

2-ethyl-3-methyl-1-{4-[(E)-3-phenyl-2-propenyl]piperazino}pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-ethyl-11-methyl-13-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}-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(C/C=C/c2ccccc2)CC1

InChI

InChI=1S/C28H29N5/c1-3-23-21(2)24(20-29)27-30-25-13-7-8-14-26(25)33(27)28(23)32-18-16-31(17-19-32)15-9-12-22-10-5-4-6-11-22/h4-14H,3,15-19H2,1-2H3

InChI Key

NYPBGSUNIGYVQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01829161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

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

6.391

Distribution Coefficient, logD

6.273

Water Solubility, LogSw

-5.98

Polar Surface Area

30.885

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

6.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3084-0256 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 3084-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3084-0256?
Check Price and Availability of 3084-0256, 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 3084-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3084-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3084-0256
  • 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 3084-0256 available by request