8019-0159 Screening compound: 3-methyl-1-[4-(2,3,4-trimethoxybenzyl)piperazino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

8019-0159 Screening compound: 3-methyl-1-[4-(2,3,4-trimethoxybenzyl)piperazino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
8019-0159 Screening compound: 3-methyl-1-[4-(2,3,4-trimethoxybenzyl)piperazino]pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0159
3-methyl-1-[4-(2,3,4-trimethoxybenzyl)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

8019-0159

Molecular Formula

C27H29N5O3 (C27 H29 N5 O3)

Compound Name

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

IUPAC name

11-methyl-13-{4-[(234-trimethoxyphenyl)methyl]piperazin-1-yl}-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(cc(n1c2nc3c1cccc3)N1CCN(Cc(c(OC)c3OC)ccc3OC)CC1)c2C#N

InChI

InChI=1S/C27H29N5O3/c1-18-15-24(32-22-8-6-5-7-21(22)29-27(32)20(18)16-28)31-13-11-30(12-14-31)17-19-9-10-23(33-2)26(35-4)25(19)34-3/h5-10,15H,11-14,17H2,1-4H3

InChI Key

HJZFYMLSRWKWHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.703

Distribution Coefficient, logD

3.710

Water Solubility, LogSw

-4.64

Polar Surface Area

54.496

Acid Dissociation Constant (pKa)

25.19

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8019-0159 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8019-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0159?
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What is the minimum amount of 8019-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0159
  • 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 8019-0159 available by request