4852-0107 Screening compound: 2-ethyl-3-methyl-1-{4-[2-(4-methylphenoxy)ethyl]piperazino}pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4852-0107 Screening compound: 2-ethyl-3-methyl-1-{4-[2-(4-methylphenoxy)ethyl]piperazino}pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4852-0107 Screening compound: 2-ethyl-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 4852-0107
2-ethyl-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

4852-0107

Molecular Formula

C28H31N5O (C28 H31 N5 O)

Compound Name

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

IUPAC name

12-ethyl-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

CCc(c(C)c(c1nc(cccc2)c2n11)C#N)c1N1CCN(CCOc2ccc(C)cc2)CC1

InChI

InChI=1S/C28H31N5O/c1-4-23-21(3)24(19-29)27-30-25-7-5-6-8-26(25)33(27)28(23)32-15-13-31(14-16-32)17-18-34-22-11-9-20(2)10-12-22/h5-12H,4,13-18H2,1-3H3

InChI Key

WPMPWPJDYCXJBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03285163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.297

Distribution Coefficient, logD

5.943

Water Solubility, LogSw

-5.72

Polar Surface Area

38.303

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with 4852-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0107?
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What is the minimum amount of 4852-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0107
  • 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 4852-0107 available by request