3078-2316 Screening compound: 3-methyl-1-[4-(3-methylbenzoyl)piperazino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3078-2316 Screening compound: 3-methyl-1-[4-(3-methylbenzoyl)piperazino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3078-2316 Screening compound: 3-methyl-1-[4-(3-methylbenzoyl)piperazino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3078-2316
3-methyl-1-[4-(3-methylbenzoyl)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

3078-2316

Molecular Formula

C25H23N5O (C25 H23 N5 O)

Compound Name

3-methyl-1-[4-(3-methylbenzoyl)piperazino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

11-methyl-13-[4-(3-methylbenzoyl)piperazin-1-yl]-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc1cccc(C(N(CC2)CCN2c(n2c3nc4c2cccc4)cc(C)c3C#N)=O)c1

InChI

InChI=1S/C25H23N5O/c1-17-6-5-7-19(14-17)25(31)29-12-10-28(11-13-29)23-15-18(2)20(16-26)24-27-21-8-3-4-9-22(21)30(23)24/h3-9,14-15H,10-13H2,1-2H3

InChI Key

GAYNNSXKRAXFFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01829453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.517

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.47

Polar Surface Area

44.347

Acid Dissociation Constant (pKa)

25.61

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

3078-2316 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3078-2316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3078-2316?
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What is the minimum amount of 3078-2316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3078-2316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3078-2316
  • 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 3078-2316 available by request