3448-7540 Screening compound: 1-amino-2-cyano-3-(3-hydroxy-4-methoxyphenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

3448-7540 Screening compound: 1-amino-2-cyano-3-(3-hydroxy-4-methoxyphenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide
3448-7540 Screening compound: 1-amino-2-cyano-3-(3-hydroxy-4-methoxyphenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-7540
1-amino-2-cyano-3-(3-hydroxy-4-methoxyphenyl)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

3448-7540

Molecular Formula

C20H13N5O2 (C20 H13 N5 O2)

Compound Name

1-amino-2-cyano-3-(3-hydroxy-4-methoxyphenyl)pyrido[1,2-a][1,3]benzimidazol-4-yl cyanide

IUPAC name

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

SMILES

COc(ccc(-c(c(C#N)c(N)n1c2nc3c1cccc3)c2C#N)c1)c1O

InChI

InChI=1S/C20H13N5O2/c1-27-17-7-6-11(8-16(17)26)18-12(9-21)19(23)25-15-5-3-2-4-14(15)24-20(25)13(18)10-22/h2-8,26H,23H2,1H3

InChI Key

AUMROZWFVAAEBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02060608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.937

Distribution Coefficient, logD

2.907

Water Solubility, LogSw

-3.05

Polar Surface Area

85.322

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

3448-7540 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 3448-7540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-7540?
Check Price and Availability of 3448-7540, 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 3448-7540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-7540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-7540
  • 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 3448-7540 available by request