4852-0829 Screening compound: 2-butyl-3-methyl-1-{4-[2-(4-methylphenoxy)ethyl]piperazino}pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4852-0829 Screening compound: 2-butyl-3-methyl-1-{4-[2-(4-methylphenoxy)ethyl]piperazino}pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4852-0829 Screening compound: 2-butyl-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 4852-0829
2-butyl-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

4852-0829

Molecular Formula

C30H35N5O (C30 H35 N5 O)

Compound Name

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

IUPAC name

12-butyl-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

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

InChI

InChI=1S/C30H35N5O/c1-4-5-8-25-23(3)26(21-31)29-32-27-9-6-7-10-28(27)35(29)30(25)34-17-15-33(16-18-34)19-20-36-24-13-11-22(2)12-14-24/h6-7,9-14H,4-5,8,15-20H2,1-3H3

InChI Key

ROHVQTKJAJHUIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03296958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.295

Distribution Coefficient, logD

6.941

Water Solubility, LogSw

-5.79

Polar Surface Area

38.303

Acid Dissociation Constant (pKa)

23.75

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 4852-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0829?
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What is the minimum amount of 4852-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0829
  • 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 4852-0829 available by request