4852-0017 Screening compound: 1-(3-chloro-4-methylanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4852-0017 Screening compound: 1-(3-chloro-4-methylanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4852-0017 Screening compound: 1-(3-chloro-4-methylanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4852-0017
1-(3-chloro-4-methylanilino)-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

4852-0017

Molecular Formula

C20H15ClN4 (C20 H15 ClN4)

Compound Name

1-(3-chloro-4-methylanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-[(3-chloro-4-methylphenyl)amino]-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(ccc(Nc(n1c2nc3c1cccc3)cc(C)c2C#N)c1)c1Cl

InChI

InChI=1S/C20H15ClN4/c1-12-7-8-14(10-16(12)21)23-19-9-13(2)15(11-22)20-24-17-5-3-4-6-18(17)25(19)20/h3-10,23H,1-2H3

InChI Key

CWLKKLOLEONGGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01032311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.82

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.220

Distribution Coefficient, logD

6.220

Water Solubility, LogSw

-6.45

Polar Surface Area

34.614

Acid Dissociation Constant (pKa)

16.09

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4852-0017 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4852-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4852-0017?
Check Price and Availability of 4852-0017, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4852-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4852-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4852-0017
  • 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 4852-0017 available by request