4852-0014 Screening compound: 3-methyl-1-{4-[2-(4-methylphenoxy)ethyl]piperazino}pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4852-0014 Screening compound: 3-methyl-1-{4-[2-(4-methylphenoxy)ethyl]piperazino}pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4852-0014 Screening compound: 3-methyl-1-{4-[2-(4-methylphenoxy)ethyl]piperazino}pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4852-0014
3-methyl-1-{4-[2-(4-methylphenoxy)ethyl]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

4852-0014

Molecular Formula

C26H27N5O (C26 H27 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1OCCN(CC1)CCN1c(n1c2nc3c1cccc3)cc(C)c2C#N

InChI

InChI=1S/C26H27N5O/c1-19-7-9-21(10-8-19)32-16-15-29-11-13-30(14-12-29)25-17-20(2)22(18-27)26-28-23-5-3-4-6-24(23)31(25)26/h3-10,17H,11-16H2,1-2H3

InChI Key

MEUWKPDPWHNWSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03416975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.459

Distribution Coefficient, logD

5.365

Water Solubility, LogSw

-5.50

Polar Surface Area

38.828

Acid Dissociation Constant (pKa)

25.49

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 4852-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0014?
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What is the minimum amount of 4852-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0014
  • 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 4852-0014 available by request