8015-5726 Screening compound: 1-[4-(dimethylamino)anilino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

8015-5726 Screening compound: 1-[4-(dimethylamino)anilino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
8015-5726 Screening compound: 1-[4-(dimethylamino)anilino]-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-5726
1-[4-(dimethylamino)anilino]-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

8015-5726

Molecular Formula

C21H19N5 (C21 H19 N5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(Nc(cc1)ccc1N(C)C)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C21H19N5/c1-14-12-20(23-15-8-10-16(11-9-15)25(2)3)26-19-7-5-4-6-18(19)24-21(26)17(14)13-22/h4-12,23H,1-3H3

InChI Key

DDVDVDQUDISFFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03284110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.42

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.920

Distribution Coefficient, logD

4.909

Water Solubility, LogSw

-4.75

Polar Surface Area

37.419

Acid Dissociation Constant (pKa)

17.92

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8015-5726 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-5726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-5726?
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What is the minimum amount of 8015-5726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-5726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-5726
  • 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 8015-5726 available by request