4852-0837 Screening compound: 2-butyl-3-methyl-1-[4-(4-methylphenyl)piperazino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4852-0837 Screening compound: 2-butyl-3-methyl-1-[4-(4-methylphenyl)piperazino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4852-0837 Screening compound: 2-butyl-3-methyl-1-[4-(4-methylphenyl)piperazino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4852-0837
2-butyl-3-methyl-1-[4-(4-methylphenyl)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

4852-0837

Molecular Formula

C28H31N5 (C28 H31 N5)

Compound Name

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

IUPAC name

12-butyl-11-methyl-13-[4-(4-methylphenyl)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)c1N(CC1)CCN1c1ccc(C)cc1

InChI

InChI=1S/C28H31N5/c1-4-5-8-23-21(3)24(19-29)27-30-25-9-6-7-10-26(25)33(27)28(23)32-17-15-31(16-18-32)22-13-11-20(2)12-14-22/h6-7,9-14H,4-5,8,15-18H2,1-3H3

InChI Key

LKGUWMGDYINCHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03416994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.59

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.455

Distribution Coefficient, logD

7.453

Water Solubility, LogSw

-5.90

Polar Surface Area

30.626

Acid Dissociation Constant (pKa)

23.75

Base Dissociation Constant (pKb)

4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

References: we are preparing a list of scientific research reports with 4852-0837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0837?
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What is the minimum amount of 4852-0837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0837
  • 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 4852-0837 available by request