3078-1148 Screening compound: 2-ethyl-1-(4-methoxyanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3078-1148 Screening compound: 2-ethyl-1-(4-methoxyanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3078-1148 Screening compound: 2-ethyl-1-(4-methoxyanilino)-3-methylpyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3078-1148
2-ethyl-1-(4-methoxyanilino)-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

3078-1148

Molecular Formula

C22H20N4O (C22 H20 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CCc(c(C)c1C#N)c(Nc(cc2)ccc2OC)n2c1nc1c2cccc1

InChI

InChI=1S/C22H20N4O/c1-4-17-14(2)18(13-23)22-25-19-7-5-6-8-20(19)26(22)21(17)24-15-9-11-16(27-3)12-10-15/h5-12,24H,4H2,1-3H3

InChI Key

ICWDHAAZIIFFKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00362359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.555

Distribution Coefficient, logD

5.554

Water Solubility, LogSw

-5.68

Polar Surface Area

41.236

Acid Dissociation Constant (pKa)

17.98

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3078-1148 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3078-1148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3078-1148?
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What is the minimum amount of 3078-1148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3078-1148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3078-1148
  • 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 3078-1148 available by request