4708-0113 Screening compound: 2-benzyl-1-{[3-(dimethylamino)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4708-0113 Screening compound: 2-benzyl-1-{[3-(dimethylamino)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4708-0113 Screening compound: 2-benzyl-1-{[3-(dimethylamino)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4708-0113
2-benzyl-1-{[3-(dimethylamino)propyl]amino}-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

4708-0113

Molecular Formula

C25H27N5 (C25 H27 N5)

Compound Name

2-benzyl-1-{[3-(dimethylamino)propyl]amino}-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

12-benzyl-13-{[3-(dimethylamino)propyl]amino}-11-methyl-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-10-carbonitrile

SMILES

Cc(c(Cc1ccccc1)c(NCCCN(C)C)n1c2nc3c1cccc3)c2C#N

InChI

InChI=1S/C25H27N5/c1-18-20(16-19-10-5-4-6-11-19)24(27-14-9-15-29(2)3)30-23-13-8-7-12-22(23)28-25(30)21(18)17-26/h4-8,10-13,27H,9,14-16H2,1-3H3

InChI Key

SIJJBZIFJBMRJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

2.967

Water Solubility, LogSw

-4.67

Polar Surface Area

38.722

Acid Dissociation Constant (pKa)

19.38

Base Dissociation Constant (pKb)

9.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

4708-0113 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4708-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0113?
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What is the minimum amount of 4708-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0113
  • 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 4708-0113 available by request