3078-1126 Screening compound: 1-(4-benzylpiperazino)-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3078-1126 Screening compound: 1-(4-benzylpiperazino)-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3078-1126 Screening compound: 1-(4-benzylpiperazino)-2-ethyl-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3078-1126
1-(4-benzylpiperazino)-2-ethyl-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

3078-1126

Molecular Formula

C26H27N5 (C26 H27 N5)

Compound Name

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

IUPAC name

13-(4-benzylpiperazin-1-yl)-12-ethyl-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(Cc2ccccc2)CC1

InChI

InChI=1S/C26H27N5/c1-3-21-19(2)22(17-27)25-28-23-11-7-8-12-24(23)31(25)26(21)30-15-13-29(14-16-30)18-20-9-5-4-6-10-20/h4-12H,3,13-16,18H2,1-2H3

InChI Key

GETZRAQHNZISHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01066714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.593

Distribution Coefficient, logD

5.010

Water Solubility, LogSw

-5.68

Polar Surface Area

30.906

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 3078-1126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3078-1126?
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What is the minimum amount of 3078-1126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3078-1126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3078-1126
  • 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 3078-1126 available by request