4094-0220 Screening compound: 1-amino-2-cyano-3-(3-ethoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

4094-0220 Screening compound: 1-amino-2-cyano-3-(3-ethoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
4094-0220 Screening compound: 1-amino-2-cyano-3-(3-ethoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4094-0220
1-amino-2-cyano-3-(3-ethoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)pyrido[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

4094-0220

Molecular Formula

C29H20F3N5O2 (C29 H20 F3 N5 O2)

Compound Name

1-amino-2-cyano-3-(3-ethoxy-4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

13-amino-11-(3-ethoxy-4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-18-diazatricyclo[7.4.0.0^{27}]trideca-2(7)3581012-hexaene-1012-dicarbonitrile

SMILES

CCOc(cc(cc1)-c(c(C#N)c(N)n2c3nc4c2cccc4)c3C#N)c1OCc1cccc(C(F)(F)F)c1

InChI

InChI=1S/C29H20F3N5O2/c1-2-38-25-13-18(10-11-24(25)39-16-17-6-5-7-19(12-17)29(30,31)32)26-20(14-33)27(35)37-23-9-4-3-8-22(23)36-28(37)21(26)15-34/h3-13H,2,16,35H2,1H3

InChI Key

FAUZMOASVCCDBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.504

Distribution Coefficient, logD

5.504

Water Solubility, LogSw

-5.78

Polar Surface Area

75.668

Acid Dissociation Constant (pKa)

17.60

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

4094-0220 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4094-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4094-0220?
Check Price and Availability of 4094-0220, 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 4094-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4094-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4094-0220
  • 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 4094-0220 available by request