6429-0048 Screening compound: 1-(2,4-dimethylanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

6429-0048 Screening compound: 1-(2,4-dimethylanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
6429-0048 Screening compound: 1-(2,4-dimethylanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6429-0048
1-(2,4-dimethylanilino)-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

6429-0048

Molecular Formula

C21H18N4 (C21 H18 N4)

Compound Name

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

IUPAC name

13-[(24-dimethylphenyl)amino]-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(cc1)cc(C)c1Nc(n1c2nc3c1cccc3)cc(C)c2C#N

InChI

InChI=1S/C21H18N4/c1-13-8-9-17(15(3)10-13)23-20-11-14(2)16(12-22)21-24-18-6-4-5-7-19(18)25(20)21/h4-11,23H,1-3H3

InChI Key

CXAHRUZGUZQFGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00991892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

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

5.586

Distribution Coefficient, logD

5.586

Water Solubility, LogSw

-5.63

Polar Surface Area

33.916

Acid Dissociation Constant (pKa)

17.73

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6429-0048 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 6429-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6429-0048?
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What is the minimum amount of 6429-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6429-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6429-0048
  • 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 6429-0048 available by request