4852-0122 Screening compound: 2-ethyl-3-methyl-1-(4-phenethylpiperazino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4852-0122 Screening compound: 2-ethyl-3-methyl-1-(4-phenethylpiperazino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4852-0122 Screening compound: 2-ethyl-3-methyl-1-(4-phenethylpiperazino)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4852-0122
2-ethyl-3-methyl-1-(4-phenethylpiperazino)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

4852-0122

Molecular Formula

C27H29N5 (C27 H29 N5)

Compound Name

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

IUPAC name

12-ethyl-11-methyl-13-[4-(2-phenylethyl)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(CCc2ccccc2)CC1

InChI

InChI=1S/C27H29N5/c1-3-22-20(2)23(19-28)26-29-24-11-7-8-12-25(24)32(26)27(22)31-17-15-30(16-18-31)14-13-21-9-5-4-6-10-21/h4-12H,3,13-18H2,1-2H3

InChI Key

RVVBCZOSLSQTDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03284768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

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

5.850

Distribution Coefficient, logD

5.027

Water Solubility, LogSw

-5.76

Polar Surface Area

30.885

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

8.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4852-0122 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 4852-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0122?
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What is the minimum amount of 4852-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0122
  • 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 4852-0122 available by request