2833-1142 Screening compound: 2-{[(3-chloro-4-methoxyphenyl)imino]methyl}-1-hydroxy-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

2833-1142 Screening compound: 2-{[(3-chloro-4-methoxyphenyl)imino]methyl}-1-hydroxy-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
2833-1142 Screening compound: 2-{[(3-chloro-4-methoxyphenyl)imino]methyl}-1-hydroxy-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2833-1142
2-{[(3-chloro-4-methoxyphenyl)imino]methyl}-1-hydroxy-3-methylpyrido[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

2833-1142

Molecular Formula

C21H15ClN4O2 (C21 H15 ClN4 O2)

Compound Name

2-{[(3-chloro-4-methoxyphenyl)imino]methyl}-1-hydroxy-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-[(E)-[(3-chloro-4-methoxyphenyl)imino]methyl]-13-hydroxy-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(c(/C=N/c(cc1)cc(Cl)c1OC)c(n1c2nc3c1cccc3)O)c2C#N

InChI

InChI=1S/C21H15ClN4O2/c1-12-14(10-23)20-25-17-5-3-4-6-18(17)26(20)21(27)15(12)11-24-13-7-8-19(28-2)16(22)9-13/h3-9,11,27H,1-2H3

InChI Key

WIAIYFUPBVHETL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00296408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.149

Distribution Coefficient, logD

-0.126

Water Solubility, LogSw

-4.30

Polar Surface Area

56.297

Acid Dissociation Constant (pKa)

3.13

Base Dissociation Constant (pKb)

4.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

2833-1142 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2833-1142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2833-1142?
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What is the minimum amount of 2833-1142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2833-1142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2833-1142
  • 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 2833-1142 available by request